1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide

C15H16ClN3O — CID 127047696

IUPAC1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide
SMILES[H]/N=c1/c(C(=O)N(C)C)cc(Cl)cn1Cc1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-18(2)15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3/b17-14-
InChIKeyDQPKXUOFRYXKNH-VKAVYKQESA-N
MW289.77 g/mol
LogP2.37
Rot. Bonds3

About 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide

1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide (PubChem CID 127047696) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide
PubChem CID127047696
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide
SMILES[H]/N=c1/c(C(=O)N(C)C)cc(Cl)cn1Cc1ccccc1
InChIInChI=1S/C15H16ClN3O/c1-18(2)15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3/b17-14-
InChIKeyDQPKXUOFRYXKNH-VKAVYKQESA-N
XLogP2.37
TPSA49.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25025052
5-Chloro-1-[1-(3-cyanophenyl)ethyl]-2-iminopyridine-3-carboxamide
CID 58150016
5-Chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide
CID 59151542
5-Chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151543
5-Chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 59151583
5-Chloro-1-[(2-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151610
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CID 59151614

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide (CID 127047696) is 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide is [H]/N=c1/c(C(=O)N(C)C)cc(Cl)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is DQPKXUOFRYXKNH-VKAVYKQESA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-18(2)15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3/b17-14-.
What are the key properties of 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide?
1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 127047696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).