N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide

C46H57F3N10O7 — CID 162033836

IUPACN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cn2)c2cccc(OC)c2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cn2)c2cccc(OC)c2)CC1
InChIInChI=1S/C24H28F3N5O4.C22H29N5O3/c1-3-30-9-11-31(12-10-30)23(35)32(19-5-4-6-20(13-19)36-2)16-18-8-7-17(14-28-18)21(33)15-29-22(34)24(25,26)27;1-3-25-9-11-26(12-10-25)22(29)27(19-5-4-6-20(13-19)30-2)16-18-8-7-17(15-24-18)21(28)14-23/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H,29,34);4-8,13,15H,3,9-12,14,16,23H2,1-2H3
InChIKeyYWJPNACVZTYDOG-UHFFFAOYSA-N
MW919.02 g/mol
LogP4.71
Rot. Bonds15

About N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide

N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide (PubChem CID 162033836) has the molecular formula C46H57F3N10O7 and a molecular weight of 919.02 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide
PubChem CID162033836
Molecular FormulaC46H57F3N10O7
Molecular Weight919.02 g/mol
Exact Mass918.44
IUPAC NameN-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cn2)c2cccc(OC)c2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cn2)c2cccc(OC)c2)CC1
InChIInChI=1S/C24H28F3N5O4.C22H29N5O3/c1-3-30-9-11-31(12-10-30)23(35)32(19-5-4-6-20(13-19)36-2)16-18-8-7-17(14-28-18)21(33)15-29-22(34)24(25,26)27;1-3-25-9-11-26(12-10-25)22(29)27(19-5-4-6-20(13-19)30-2)16-18-8-7-17(15-24-18)21(28)14-23/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H,29,34);4-8,13,15H,3,9-12,14,16,23H2,1-2H3
InChIKeyYWJPNACVZTYDOG-UHFFFAOYSA-N
XLogP4.71
TPSA187.08 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.02
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

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5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)-N-(6-(4-fluorophenoxy)pyridin-3-yl)picolinamide
CID 56650324
5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)-N-(3-phenoxyphenyl) picolinamide
CID 56652716
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(4-(p-tolyloxy)piperidine-1-carbonyl)picolinamide
CID 58073179
N-(1-(4-fluorobenzyl)piperidin-4-yl)-5-(4-(4-fluorophenoxy) piperidine-1-carbonyl)picolinamide
CID 58073378
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(4-(4-methoxyphenoxy) piperidine-1-carbonyl)picolinamide
CID 66710188
6-(4-(4-fluorobenzyl)piperazine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)nicotinamide
CID 66710301
6-(4-(4-acetamidophenoxy) piperidine-1-carbonyl)-N-(1-(4-fluorobenzyl)piperidin-4-yl)nicotinamide
CID 66710323
5-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)picolinamide
CID 66710337
6-(4-(3-acetamidophenoxy) piperidine-1-carbonyl)-N-(1-(3-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710419
6-(4-(4-fluorobenzyl)piperazine-1-carbonyl)-N-(1-(4-methoxyphenyl) piperidin-4-yl)nicotinamide
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide (CID 162033836) is N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide is CCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cn2)c2cccc(OC)c2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cn2)c2cccc(OC)c2)CC1.
What is the InChIKey of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide?
The InChIKey is YWJPNACVZTYDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O4.C22H29N5O3/c1-3-30-9-11-31(12-10-30)23(35)32(19-5-4-6-20(13-19)36-2)16-18-8-7-17(14-28-18)21(33)15-29-22(34)24(25,26)27;1-3-25-9-11-26(12-10-25)22(29)27(19-5-4-6-20(13-19)30-2)16-18-8-7-17(15-24-18)21(28)14-23/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H,29,34);4-8,13,15H,3,9-12,14,16,23H2,1-2H3.
What are the key properties of N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide?
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide has a molecular weight of 919.02 g/mol, XLogP of 4.71, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;4-ethyl-N-(3-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 162033836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).