4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide

C27H33N5O2 — CID 71042497

IUPAC4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide
SMILESNC1(c2ccccn2)CCN(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)nc3ccccc23)CC1
InChIInChI=1S/C27H33N5O2/c28-27(25-11-5-6-14-29-25)12-15-32(16-13-27)18-19-17-23(30-21-8-2-1-7-20(19)21)26(34)31-22-9-3-4-10-24(22)33/h1-2,5-8,11,14,17,22,24,33H,3-4,9-10,12-13,15-16,18,28H2,(H,31,34)/t22-,24-/m0/s1
InChIKeyCEDQGHQOYLBOSH-UPVQGACJSA-N
MW459.59 g/mol
LogP3.11
Rot. Bonds5

About 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide

4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide (PubChem CID 71042497) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide
PubChem CID71042497
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide
SMILESNC1(c2ccccn2)CCN(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)nc3ccccc23)CC1
InChIInChI=1S/C27H33N5O2/c28-27(25-11-5-6-14-29-25)12-15-32(16-13-27)18-19-17-23(30-21-8-2-1-7-20(19)21)26(34)31-22-9-3-4-10-24(22)33/h1-2,5-8,11,14,17,22,24,33H,3-4,9-10,12-13,15-16,18,28H2,(H,31,34)/t22-,24-/m0/s1
InChIKeyCEDQGHQOYLBOSH-UPVQGACJSA-N
XLogP3.11
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide with MolForge

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2R)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 53307897
ethyl 4-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]quinoline-2-carboxylate
CID 71014156
N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 171674975
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(6-thiophen-3-yl-3-pyridinyl)methyl]quinoline-2-carboxamide
CID 53308061
4-amino-N-[2-(hydroxymethyl)cyclopentyl]quinoline-2-carboxamide
CID 103856999
N-[(1S,2R)-2-hydroxycyclohexyl]-4-[[6-(1-methyl-3H-pyrazol-1-ium-4-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 140706788
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methyl]naphthalene-2-carboxamide
CID 54755720
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
1-hydroxy-N-(2-hydroxycyclohexyl)naphthalene-2-carboxamide
CID 62365090
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
2-(4-chlorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinoline-4-carboxamide
CID 55858725

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide?
The IUPAC name of 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide (CID 71042497) is 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide?
The canonical SMILES for 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide is NC1(c2ccccn2)CCN(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)nc3ccccc23)CC1.
What is the InChIKey of 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide?
The InChIKey is CEDQGHQOYLBOSH-UPVQGACJSA-N. The full InChI is InChI=1S/C27H33N5O2/c28-27(25-11-5-6-14-29-25)12-15-32(16-13-27)18-19-17-23(30-21-8-2-1-7-20(19)21)26(34)31-22-9-3-4-10-24(22)33/h1-2,5-8,11,14,17,22,24,33H,3-4,9-10,12-13,15-16,18,28H2,(H,31,34)/t22-,24-/m0/s1.
What are the key properties of 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide?
4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]quinoline-2-carboxamide is sourced from PubChem (CID 71042497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).