(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide

C15H19N5O — CID 94661719

IUPAC(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCCCC[C@H]1c1ccncc1
InChIInChI=1S/C15H19N5O/c21-15(19-13-10-17-18-11-13)20-9-3-1-2-4-14(20)12-5-7-16-8-6-12/h5-8,10-11,14H,1-4,9H2,(H,17,18)(H,19,21)/t14-/m0/s1
InChIKeyMMNAQDKKGUJFNC-AWEZNQCLSA-N
MW285.35 g/mol
LogP2.95
Rot. Bonds2

About (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide

(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide (PubChem CID 94661719) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
PubChem CID94661719
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)N1CCCCC[C@H]1c1ccncc1
InChIInChI=1S/C15H19N5O/c21-15(19-13-10-17-18-11-13)20-9-3-1-2-4-14(20)12-5-7-16-8-6-12/h5-8,10-11,14H,1-4,9H2,(H,17,18)(H,19,21)/t14-/m0/s1
InChIKeyMMNAQDKKGUJFNC-AWEZNQCLSA-N
XLogP2.95
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 94796932
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
(2R)-N-[3-(propan-2-yloxymethyl)phenyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 95235839
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 99794040
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 110894690
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565
N-(2-tert-butylpyrazol-3-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 154754412
(2R)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 97305922
(2S)-N-(3-methyl-4-nitrophenyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99698277
(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078379

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide?
The IUPAC name of (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide (CID 94661719) is (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide.
What is the SMILES notation for (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide?
The canonical SMILES for (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide is O=C(Nc1cn[nH]c1)N1CCCCC[C@H]1c1ccncc1.
What is the InChIKey of (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide?
The InChIKey is MMNAQDKKGUJFNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(19-13-10-17-18-11-13)20-9-3-1-2-4-14(20)12-5-7-16-8-6-12/h5-8,10-11,14H,1-4,9H2,(H,17,18)(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide?
(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 94661719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).