7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride

C19H25Cl2N3O2 — CID 119723855

IUPAC7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H24ClN3O2.ClH/c20-17-8-5-4-7-15(17)13-23-14-16(10-11-19(23)25)22-18(24)9-3-1-2-6-12-21;/h4-5,7-8,10-11,14H,1-3,6,9,12-13,21H2,(H,22,24);1H
InChIKeyMHCWGBDYFPXNNG-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.82
Rot. Bonds9

About 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride

7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride (PubChem CID 119723855) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride
PubChem CID119723855
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H24ClN3O2.ClH/c20-17-8-5-4-7-15(17)13-23-14-16(10-11-19(23)25)22-18(24)9-3-1-2-6-12-21;/h4-5,7-8,10-11,14H,1-3,6,9,12-13,21H2,(H,22,24);1H
InChIKeyMHCWGBDYFPXNNG-UHFFFAOYSA-N
XLogP3.82
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate
CID 55859296
ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate
CID 47059053
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55804301
(2S)-2-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylpentanamide;hydrochloride
CID 119723887
6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide
CID 54863045
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 55804557
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide
CID 55804143
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 55804082
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 46494483
1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide
CID 55804460
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55804395
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119289656

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride (CID 119723855) is 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride?
The InChIKey is MHCWGBDYFPXNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.ClH/c20-17-8-5-4-7-15(17)13-23-14-16(10-11-19(23)25)22-18(24)9-3-1-2-6-12-21;/h4-5,7-8,10-11,14H,1-3,6,9,12-13,21H2,(H,22,24);1H.
What are the key properties of 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride?
7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride has a molecular weight of 398.33 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride is sourced from PubChem (CID 119723855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).