6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate

C51H50N10O6 — CID 158019209

IUPAC6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2cccc(-c3ccc4occc4c3)n2)CC1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3occc3c2)n1
InChIInChI=1S/C28H29N5O4.C23H21N5O2/c1-28(2,3)37-27(35)33-14-12-32(13-15-33)24-9-11-29-18-23(24)31-26(34)22-6-4-5-21(30-22)19-7-8-25-20(17-19)10-16-36-25;29-23(27-20-15-25-8-6-21(20)28-11-9-24-10-12-28)19-3-1-2-18(26-19)16-4-5-22-17(14-16)7-13-30-22/h4-11,16-18H,12-15H2,1-3H3,(H,31,34);1-8,13-15,24H,9-12H2,(H,27,29)
InChIKeyFFVXWURTTNBBDE-UHFFFAOYSA-N
MW899.03 g/mol
LogP8.75
Rot. Bonds8

About 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate

6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate (PubChem CID 158019209) has the molecular formula C51H50N10O6 and a molecular weight of 899.03 g/mol. Its IUPAC name is 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
PubChem CID158019209
Molecular FormulaC51H50N10O6
Molecular Weight899.03 g/mol
Exact Mass898.39
IUPAC Name6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2cccc(-c3ccc4occc4c3)n2)CC1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3occc3c2)n1
InChIInChI=1S/C28H29N5O4.C23H21N5O2/c1-28(2,3)37-27(35)33-14-12-32(13-15-33)24-9-11-29-18-23(24)31-26(34)22-6-4-5-21(30-22)19-7-8-25-20(17-19)10-16-36-25;29-23(27-20-15-25-8-6-21(20)28-11-9-24-10-12-28)19-3-1-2-18(26-19)16-4-5-22-17(14-16)7-13-30-22/h4-11,16-18H,12-15H2,1-3H3,(H,31,34);1-8,13-15,24H,9-12H2,(H,27,29)
InChIKeyFFVXWURTTNBBDE-UHFFFAOYSA-N
XLogP8.75
TPSA184.09 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500899.03
LogP ≤ 58.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[5-[3-[(1S)-1-[[2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 127024584
(E)-N-[[5-[5-(4,4-difluoropiperidine-1-carbonyl)pyridin-2-yl]-7-pyridin-4-yl-1-benzofuran-2-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 86763456
3-N-(cyclopentylmethyl)-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid
CID 87749987
3-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(4-methylpiperazine-1-carbonyl)-1,7-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87750124
tert-butyl N-[[5-[5-(4,4-difluoropiperidine-1-carbonyl)pyridin-2-yl]-7-pyridin-4-yl-1-benzofuran-2-yl]methyl]carbamate
CID 117806661
tert-butyl N-[[7-(4-fluorophenyl)-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]carbamate
CID 117806873
Tert-butyl 4-[6-[2-[[3-(2-amino-3,4-dihydropyridin-5-yl)propanoylamino]methyl]-7-(trifluoromethyl)-1-benzofuran-5-yl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 123487616
N-[[5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 123898637
(E)-N-[[5-[5-(morpholine-4-carbonyl)pyridin-2-yl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 139452070
N-[[5-[5-(4,4-difluoropiperidine-1-carbonyl)pyridin-2-yl]-7-pyridin-4-yl-1-benzofuran-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 139452086
1-[5-(1-Benzofuran-3-carboximidoyl)-4-(2,2,2-trifluoroethylamino)pyridine-2-carbonyl]piperidine-4-carboxylic acid
CID 153568689
[5-(5-Fluoro-1-benzofuran-3-carboximidoyl)-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-4-pyridinyl]-(2,2,2-trifluoroethyl)azanium
CID 153568931

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate (CID 158019209) is 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccncc2NC(=O)c2cccc(-c3ccc4occc4c3)n2)CC1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-c2ccc3occc3c2)n1.
What is the InChIKey of 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate?
The InChIKey is FFVXWURTTNBBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4.C23H21N5O2/c1-28(2,3)37-27(35)33-14-12-32(13-15-33)24-9-11-29-18-23(24)31-26(34)22-6-4-5-21(30-22)19-7-8-25-20(17-19)10-16-36-25;29-23(27-20-15-25-8-6-21(20)28-11-9-24-10-12-28)19-3-1-2-18(26-19)16-4-5-22-17(14-16)7-13-30-22/h4-11,16-18H,12-15H2,1-3H3,(H,31,34);1-8,13-15,24H,9-12H2,(H,27,29).
What are the key properties of 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate?
6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate has a molecular weight of 899.03 g/mol, XLogP of 8.75, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;tert-butyl 4-[3-[[6-(1-benzofuran-5-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 158019209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).