N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide

C30H34N6O3 — CID 171433754

IUPACN-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccnc(C(=O)Nc3cc(CN4CCCC(N)C4)cc(-n4cnc(C)c4)c3)c2)cc1OC
InChIInChI=1S/C30H34N6O3/c1-20-16-36(19-33-20)26-12-21(17-35-10-4-5-24(31)18-35)11-25(15-26)34-30(37)27-13-23(8-9-32-27)22-6-7-28(38-2)29(14-22)39-3/h6-9,11-16,19,24H,4-5,10,17-18,31H2,1-3H3,(H,34,37)
InChIKeyUGXDISZUOGAJRB-UHFFFAOYSA-N
MW526.64 g/mol
LogP4.44
Rot. Bonds8

About N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide

N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide (PubChem CID 171433754) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
PubChem CID171433754
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC NameN-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccnc(C(=O)Nc3cc(CN4CCCC(N)C4)cc(-n4cnc(C)c4)c3)c2)cc1OC
InChIInChI=1S/C30H34N6O3/c1-20-16-36(19-33-20)26-12-21(17-35-10-4-5-24(31)18-35)11-25(15-26)34-30(37)27-13-23(8-9-32-27)22-6-7-28(38-2)29(14-22)39-3/h6-9,11-16,19,24H,4-5,10,17-18,31H2,1-3H3,(H,34,37)
InChIKeyUGXDISZUOGAJRB-UHFFFAOYSA-N
XLogP4.44
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 171433777
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-cyclohexylpyridine-2-carboxamide
CID 164543582
N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-phenoxypyridine-2-carboxamide
CID 171433783
[(3S)-1-[[3-[[4-[4-(difluoromethyl)phenyl]pyridine-2-carbonyl]amino]-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamic acid
CID 174225747
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-6-phenylpyridine-3-carboxamide
CID 164543526
N-[3-(4-methylimidazol-1-yl)-5-[[(3S)-3-[(2-pyridin-2-ylacetyl)amino]piperidin-1-yl]methyl]phenyl]-4-phenylpyridine-2-carboxamide
CID 164543112
4-[5-[[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoyl]-4-methylcyclohexa-1,5-dien-1-yl]oxybenzamide
CID 163907677
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 164543467
N-[3-[[3-[3-(1H-indol-3-yl)propanoylamino]piperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-phenylpyridine-2-carboxamide
CID 164543599
tert-butyl N-[(3S)-1-[[3-(4-methylimidazol-1-yl)-5-[(5-methylpyridine-2-carbonyl)amino]phenyl]methyl]piperidin-3-yl]carbamate
CID 164543580
tert-butyl N-[(3S)-1-[[3-[[4-(benzimidazol-1-yl)pyridine-2-carbonyl]amino]-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate
CID 171433744
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)oxy]benzamide;tert-butyl N-[(3S)-1-[[3-amino-5-(4-methylimidazol-1-yl)phenyl]methyl]piperidin-3-yl]carbamate;methane
CID 163754214

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide (CID 171433754) is N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide is COc1ccc(-c2ccnc(C(=O)Nc3cc(CN4CCCC(N)C4)cc(-n4cnc(C)c4)c3)c2)cc1OC.
What is the InChIKey of N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is UGXDISZUOGAJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c1-20-16-36(19-33-20)26-12-21(17-35-10-4-5-24(31)18-35)11-25(15-26)34-30(37)27-13-23(8-9-32-27)22-6-7-28(38-2)29(14-22)39-3/h6-9,11-16,19,24H,4-5,10,17-18,31H2,1-3H3,(H,34,37).
What are the key properties of N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide?
N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-aminopiperidin-1-yl)methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-(3,4-dimethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 171433754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).