N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide

C34H44N8O3 — CID 166926939

IUPACN-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide
SMILESCOc1ccncc1-c1cc(C(=O)Nc2nc3ccc(N4CCC(NCCN(C)C)CC4)cc3n2C2CCC(O)CC2)ccn1
InChIInChI=1S/C34H44N8O3/c1-40(2)19-16-36-24-12-17-41(18-13-24)26-6-9-29-31(21-26)42(25-4-7-27(43)8-5-25)34(38-29)39-33(44)23-10-15-37-30(20-23)28-22-35-14-11-32(28)45-3/h6,9-11,14-15,20-22,24-25,27,36,43H,4-5,7-8,12-13,16-19H2,1-3H3,(H,38,39,44)
InChIKeyQVLSJTYRDFWAMQ-UHFFFAOYSA-N
MW612.78 g/mol
LogP4.35
Rot. Bonds10

About N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide

N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 166926939) has the molecular formula C34H44N8O3 and a molecular weight of 612.78 g/mol. Its IUPAC name is N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide
PubChem CID166926939
Molecular FormulaC34H44N8O3
Molecular Weight612.78 g/mol
Exact Mass612.35
IUPAC NameN-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide
SMILESCOc1ccncc1-c1cc(C(=O)Nc2nc3ccc(N4CCC(NCCN(C)C)CC4)cc3n2C2CCC(O)CC2)ccn1
InChIInChI=1S/C34H44N8O3/c1-40(2)19-16-36-24-12-17-41(18-13-24)26-6-9-29-31(21-26)42(25-4-7-27(43)8-5-25)34(38-29)39-33(44)23-10-15-37-30(20-23)28-22-35-14-11-32(28)45-3/h6,9-11,14-15,20-22,24-25,27,36,43H,4-5,7-8,12-13,16-19H2,1-3H3,(H,38,39,44)
InChIKeyQVLSJTYRDFWAMQ-UHFFFAOYSA-N
XLogP4.35
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.78
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[6-[4-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)-6-methylpyridine-4-carboxamide
CID 166926933
N-[1-(4-hydroxycyclohexyl)-5-methylbenzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447595
N-[5-(1-acetylpiperidin-4-yl)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 139448026
3-fluoro-N-[1-(4-hydroxycyclohexyl)-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)-6-methylpyridine-4-carboxamide
CID 166926921
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide
CID 139447854
N-[1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridine-4-carboxamide
CID 139448027
N-[6-chloro-1-[1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-5-methoxybenzimidazol-2-yl]-2-methylpyridine-4-carboxamide
CID 118223864
3-fluoro-N-[1-(4-hydroxycyclohexyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 166927103
N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155348727
N-[1-[(3S,4S)-4-hydroxyoxan-3-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155348736
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447834
N-[1-(2-hydroxy-2-methylpropyl)-6-[4-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)piperidin-1-yl]benzimidazol-2-yl]-2-(2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 166927111

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide (CID 166926939) is N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide is COc1ccncc1-c1cc(C(=O)Nc2nc3ccc(N4CCC(NCCN(C)C)CC4)cc3n2C2CCC(O)CC2)ccn1.
What is the InChIKey of N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is QVLSJTYRDFWAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N8O3/c1-40(2)19-16-36-24-12-17-41(18-13-24)26-6-9-29-31(21-26)42(25-4-7-27(43)8-5-25)34(38-29)39-33(44)23-10-15-37-30(20-23)28-22-35-14-11-32(28)45-3/h6,9-11,14-15,20-22,24-25,27,36,43H,4-5,7-8,12-13,16-19H2,1-3H3,(H,38,39,44).
What are the key properties of N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide?
N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 612.78 g/mol, XLogP of 4.35, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-2-(4-methoxy-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 166926939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).