N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C22H31N5O — CID 59007447

IUPACN-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1CN1CCCCCC1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C22H31N5O/c28-22(18-10-11-21(23-16-18)27-15-7-12-24-27)25-20-9-4-3-8-19(20)17-26-13-5-1-2-6-14-26/h7,10-12,15-16,19-20H,1-6,8-9,13-14,17H2,(H,25,28)/t19-,20+/m1/s1
InChIKeyHCUHHKTVSGYQLB-UXHICEINSA-N
MW381.52 g/mol
LogP3.43
Rot. Bonds5

About N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 59007447) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID59007447
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1CN1CCCCCC1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C22H31N5O/c28-22(18-10-11-21(23-16-18)27-15-7-12-24-27)25-20-9-4-3-8-19(20)17-26-13-5-1-2-6-14-26/h7,10-12,15-16,19-20H,1-6,8-9,13-14,17H2,(H,25,28)/t19-,20+/m1/s1
InChIKeyHCUHHKTVSGYQLB-UXHICEINSA-N
XLogP3.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-4-pyrazol-1-ylbenzamide
CID 59007588
N-cyclohexyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654230
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
CID 158320192
N-[(2S)-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 71160004
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 157156643
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 69039593
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 59007447) is N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide is O=C(N[C@H]1CCCC[C@@H]1CN1CCCCCC1)c1ccc(-n2cccn2)nc1.
What is the InChIKey of N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is HCUHHKTVSGYQLB-UXHICEINSA-N. The full InChI is InChI=1S/C22H31N5O/c28-22(18-10-11-21(23-16-18)27-15-7-12-24-27)25-20-9-4-3-8-19(20)17-26-13-5-1-2-6-14-26/h7,10-12,15-16,19-20H,1-6,8-9,13-14,17H2,(H,25,28)/t19-,20+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 59007447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).