N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C24H24N4O2 — CID 46338632

IUPACN-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)N2CCCCc3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c29-23(26-17-21-11-3-5-14-25-21)19-10-7-12-20(16-19)27-24(30)28-15-6-4-9-18-8-1-2-13-22(18)28/h1-3,5,7-8,10-14,16H,4,6,9,15,17H2,(H,26,29)(H,27,30)
InChIKeyWTGMKPCTLYTQQW-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.39
Rot. Bonds4

About N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 46338632) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID46338632
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)N2CCCCc3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c29-23(26-17-21-11-3-5-14-25-21)19-10-7-12-20(16-19)27-24(30)28-15-6-4-9-18-8-1-2-13-22(18)28/h1-3,5,7-8,10-14,16H,4,6,9,15,17H2,(H,26,29)(H,27,30)
InChIKeyWTGMKPCTLYTQQW-UHFFFAOYSA-N
XLogP4.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943948
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943944
3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide
CID 166340166
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490366
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943913
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 109148704
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-piperidin-1-ylsulfonyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55783525

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 46338632) is N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(NCc1ccccn1)c1cccc(NC(=O)N2CCCCc3ccccc32)c1.
What is the InChIKey of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is WTGMKPCTLYTQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23(26-17-21-11-3-5-14-25-21)19-10-7-12-20(16-19)27-24(30)28-15-6-4-9-18-8-1-2-13-22(18)28/h1-3,5,7-8,10-14,16H,4,6,9,15,17H2,(H,26,29)(H,27,30).
What are the key properties of N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 46338632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).