N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine

C58H56N10O3 — CID 159119121

IUPACN-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESO=C(Nc1cccnc1Nc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1)c1ccccn1.c1ccc(CN2CCC(Oc3ccc(-n4c(-c5ccccn5)nc5cccnc54)cc3)CC2)cc1
InChIInChI=1S/C29H29N5O2.C29H27N5O/c35-29(27-9-4-5-17-30-27)33-26-10-6-18-31-28(26)32-23-11-13-24(14-12-23)36-25-15-19-34(20-16-25)21-22-7-2-1-3-8-22;1-2-7-22(8-3-1)21-33-19-15-25(16-20-33)35-24-13-11-23(12-14-24)34-28-27(10-6-18-31-28)32-29(34)26-9-4-5-17-30-26/h1-14,17-18,25H,15-16,19-21H2,(H,31,32)(H,33,35);1-14,17-18,25H,15-16,19-21H2
InChIKeyKFLRJWRLLRGFLX-UHFFFAOYSA-N
MW941.15 g/mol
LogP11.04
Rot. Bonds14

About N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine

N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine (PubChem CID 159119121) has the molecular formula C58H56N10O3 and a molecular weight of 941.15 g/mol. Its IUPAC name is N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound NameN-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
PubChem CID159119121
Molecular FormulaC58H56N10O3
Molecular Weight941.15 g/mol
Exact Mass940.45
IUPAC NameN-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESO=C(Nc1cccnc1Nc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1)c1ccccn1.c1ccc(CN2CCC(Oc3ccc(-n4c(-c5ccccn5)nc5cccnc54)cc3)CC2)cc1
InChIInChI=1S/C29H29N5O2.C29H27N5O/c35-29(27-9-4-5-17-30-27)33-26-10-6-18-31-28(26)32-23-11-13-24(14-12-23)36-25-15-19-34(20-16-25)21-22-7-2-1-3-8-22;1-2-7-22(8-3-1)21-33-19-15-25(16-20-33)35-24-13-11-23(12-14-24)34-28-27(10-6-18-31-28)32-29(34)26-9-4-5-17-30-26/h1-14,17-18,25H,15-16,19-21H2,(H,31,32)(H,33,35);1-14,17-18,25H,15-16,19-21H2
InChIKeyKFLRJWRLLRGFLX-UHFFFAOYSA-N
XLogP11.04
TPSA135.45 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.15
LogP ≤ 511.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

1-benzyl-4-(4-nitrophenoxy)piperidine;1-benzylpiperidin-4-ol;N-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-3-nitropyridin-2-amine;1-fluoro-4-nitrobenzene
CID 161105155
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-2-hydroxybenzaldehyde
CID 171103134
tert-butyl 4-[2,6-difluoro-4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]phenoxy]piperidine-1-carboxylate
CID 70949307
4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 71120257
(E)-N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-3-methoxyprop-2-enamide
CID 171563146
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-2-methoxybenzaldehyde
CID 171103472
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
CID 21352739
N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]-6-cyanopyrimidine-4-carboxamide
CID 171494894
1-[4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 171563380
N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide
CID 177373984
2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine (CID 159119121) is N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine is O=C(Nc1cccnc1Nc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1)c1ccccn1.c1ccc(CN2CCC(Oc3ccc(-n4c(-c5ccccn5)nc5cccnc54)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is KFLRJWRLLRGFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2.C29H27N5O/c35-29(27-9-4-5-17-30-27)33-26-10-6-18-31-28(26)32-23-11-13-24(14-12-23)36-25-15-19-34(20-16-25)21-22-7-2-1-3-8-22;1-2-7-22(8-3-1)21-33-19-15-25(16-20-33)35-24-13-11-23(12-14-24)34-28-27(10-6-18-31-28)32-29(34)26-9-4-5-17-30-26/h1-14,17-18,25H,15-16,19-21H2,(H,31,32)(H,33,35);1-14,17-18,25H,15-16,19-21H2.
What are the key properties of N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine?
N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 941.15 g/mol, XLogP of 11.04, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 159119121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).