(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide

C19H25N5O — CID 94796932

IUPAC(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cn1
InChIInChI=1S/C19H25N5O/c1-23(2)18-8-7-16(14-21-18)22-19(25)24-13-5-3-4-6-17(24)15-9-11-20-12-10-15/h7-12,14,17H,3-6,13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyYYEXQZACKQETBG-KRWDZBQOSA-N
MW339.44 g/mol
LogP3.69
Rot. Bonds3

About (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide

(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide (PubChem CID 94796932) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
PubChem CID94796932
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cn1
InChIInChI=1S/C19H25N5O/c1-23(2)18-8-7-16(14-21-18)22-19(25)24-13-5-3-4-6-17(24)15-9-11-20-12-10-15/h7-12,14,17H,3-6,13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyYYEXQZACKQETBG-KRWDZBQOSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579
(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661719
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
CID 86988125
N-[6-(dimethylamino)-3-pyridinyl]-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 71907067
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
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-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87000351
2-pyridin-4-yl-N-[3-(1,3-thiazol-2-yl)phenyl]azepane-1-carboxamide
CID 87035823
N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71941798

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide?
The IUPAC name of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide (CID 94796932) is (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide.
What is the SMILES notation for (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide?
The canonical SMILES for (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide is CN(C)c1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)cn1.
What is the InChIKey of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide?
The InChIKey is YYEXQZACKQETBG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23(2)18-8-7-16(14-21-18)22-19(25)24-13-5-3-4-6-17(24)15-9-11-20-12-10-15/h7-12,14,17H,3-6,13H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide?
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 94796932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).