(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide

C17H23N5O — CID 97158690

IUPAC(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide
SMILESCc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccccn1
InChIInChI=1S/C17H23N5O/c1-12-16(13(2)21-20-12)14-8-4-3-7-11-22(14)17(23)19-15-9-5-6-10-18-15/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,20,21)(H,18,19,23)/t14-/m1/s1
InChIKeyJSAKYAVLQLDBPS-CQSZACIVSA-N
MW313.40 g/mol
LogP3.57
Rot. Bonds2

About (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide

(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide (PubChem CID 97158690) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide
PubChem CID97158690
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide
SMILESCc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccccn1
InChIInChI=1S/C17H23N5O/c1-12-16(13(2)21-20-12)14-8-4-3-7-11-22(14)17(23)19-15-9-5-6-10-18-15/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,20,21)(H,18,19,23)/t14-/m1/s1
InChIKeyJSAKYAVLQLDBPS-CQSZACIVSA-N
XLogP3.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(triazol-1-yl)phenyl]azepane-1-carboxamide
CID 86771220
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-propan-2-yloxy-3-pyridinyl)pyrrolidine-1-carboxamide
CID 84598369
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide
CID 97333945
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]azepane-1-carboxamide
CID 75501107
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpropanoylamino)ethyl]azepane-1-carboxamide
CID 98574717
2-[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)azepan-1-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 99636299
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepane-1-carboxamide
CID 98574743
[2-(3,5-dimethyl-1H-pyrazol-4-yl)azepan-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 75499342
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3,3,3-trifluoropropyl)azepane-1-carboxamide
CID 99853243
cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95838089
(2R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-1-carboxamide
CID 99820945
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]azepane-1-carboxamide
CID 99820987

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide (CID 97158690) is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide is Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Nc1ccccn1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide?
The InChIKey is JSAKYAVLQLDBPS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-16(13(2)21-20-12)14-8-4-3-7-11-22(14)17(23)19-15-9-5-6-10-18-15/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,20,21)(H,18,19,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide?
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-pyridin-2-ylazepane-1-carboxamide is sourced from PubChem (CID 97158690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).