N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide

C21H27N5O2 — CID 98136032

IUPACN-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide
SMILESCC(=O)N[C@H](c1ccccn1)C1CCC(CNC(=O)c2cccnc2N)CC1
InChIInChI=1S/C21H27N5O2/c1-14(27)26-19(18-6-2-3-11-23-18)16-9-7-15(8-10-16)13-25-21(28)17-5-4-12-24-20(17)22/h2-6,11-12,15-16,19H,7-10,13H2,1H3,(H2,22,24)(H,25,28)(H,26,27)/t15?,16?,19-/m0/s1
InChIKeyZXZMPVMUBHHODA-RJYAGPCLSA-N
MW381.48 g/mol
LogP2.47
Rot. Bonds6

About N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide

N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide (PubChem CID 98136032) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide
PubChem CID98136032
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide
SMILESCC(=O)N[C@H](c1ccccn1)C1CCC(CNC(=O)c2cccnc2N)CC1
InChIInChI=1S/C21H27N5O2/c1-14(27)26-19(18-6-2-3-11-23-18)16-9-7-15(8-10-16)13-25-21(28)17-5-4-12-24-20(17)22/h2-6,11-12,15-16,19H,7-10,13H2,1H3,(H2,22,24)(H,25,28)(H,26,27)/t15?,16?,19-/m0/s1
InChIKeyZXZMPVMUBHHODA-RJYAGPCLSA-N
XLogP2.47
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide
CID 98135958
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 110241906
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 98135966
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-5-aminopyridine-3-carboxamide
CID 110241934
N-[[4-[(R)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-3-methylbutanamide
CID 98135945
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
CID 110241919
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110241999
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 98136040
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 98136166
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2-(3-fluorophenyl)acetamide
CID 98136163
2-cyclopropyloxy-N-[cyclopropyl(pyridin-2-yl)methyl]benzamide
CID 138051363
N-[[4-(aminomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2,4-dimethoxybenzamide
CID 110242008

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide?
The IUPAC name of N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide (CID 98136032) is N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide is CC(=O)N[C@H](c1ccccn1)C1CCC(CNC(=O)c2cccnc2N)CC1.
What is the InChIKey of N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide?
The InChIKey is ZXZMPVMUBHHODA-RJYAGPCLSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14(27)26-19(18-6-2-3-11-23-18)16-9-7-15(8-10-16)13-25-21(28)17-5-4-12-24-20(17)22/h2-6,11-12,15-16,19H,7-10,13H2,1H3,(H2,22,24)(H,25,28)(H,26,27)/t15?,16?,19-/m0/s1.
What are the key properties of N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide?
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide is sourced from PubChem (CID 98136032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).