1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide

C14H13ClN4O2 — CID 59151614

IUPAC1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C14H13ClN4O2/c15-10-5-11(14(18)21)12(16)19(7-10)6-8-2-1-3-9(4-8)13(17)20/h1-5,7,16H,6H2,(H2,17,20)(H2,18,21)/b16-12-
InChIKeyOOTPLXIDOHXHJG-VBKFSLOCSA-N
MW304.74 g/mol
LogP0.87
Rot. Bonds4

About 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide

1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide (PubChem CID 59151614) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
PubChem CID59151614
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C(N)=O)c1
InChIInChI=1S/C14H13ClN4O2/c15-10-5-11(14(18)21)12(16)19(7-10)6-8-2-1-3-9(4-8)13(17)20/h1-5,7,16H,6H2,(H2,17,20)(H2,18,21)/b16-12-
InChIKeyOOTPLXIDOHXHJG-VBKFSLOCSA-N
XLogP0.87
TPSA114.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ADRA1D receptor antagonist 1 free base
CID 44470113
1-Benzyl-5-chloro-2-iminopyridine-3-carboxamide
CID 1070749
5-Chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 25025052
1-[(3-Carbamoyl-5-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 57929587
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-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 59151583
1-Benzyl-2-iminopyridine-3-carboxamide
CID 127046608
5-chloro-1-[(1S)-1-(3-cyanophenyl)ethyl]-2-iminopyridine-3-carboxamide
CID 127046693
1-[(4-Carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 127046694
1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide
CID 127047696
1-[(1S)-1-[3-(aminomethyl)phenyl]ethyl]-5-chloro-2-iminopyridine-3-carboxamide;hydrochloride
CID 162653752

Frequently Asked Questions

What is the IUPAC name of 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The IUPAC name of 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide (CID 59151614) is 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C(N)=O)c1.
What is the InChIKey of 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The InChIKey is OOTPLXIDOHXHJG-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-10-5-11(14(18)21)12(16)19(7-10)6-8-2-1-3-9(4-8)13(17)20/h1-5,7,16H,6H2,(H2,17,20)(H2,18,21)/b16-12-.
What are the key properties of 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-carbamoylphenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 59151614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).