5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide

C14H14ClN3O — CID 59151583

IUPAC5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C)c1
InChIInChI=1S/C14H14ClN3O/c1-9-3-2-4-10(5-9)7-18-8-11(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)/b16-13-
InChIKeyKBEVXKDCQJCJGD-SSZFMOIBSA-N
MW275.74 g/mol
LogP2.08
Rot. Bonds3

About 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide

5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 59151583) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID59151583
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C)c1
InChIInChI=1S/C14H14ClN3O/c1-9-3-2-4-10(5-9)7-18-8-11(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)/b16-13-
InChIKeyKBEVXKDCQJCJGD-SSZFMOIBSA-N
XLogP2.08
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide (CID 59151583) is 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C)c1.
What is the InChIKey of 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is KBEVXKDCQJCJGD-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-3-2-4-10(5-9)7-18-8-11(15)6-12(13(18)16)14(17)19/h2-6,8,16H,7H2,1H3,(H2,17,19)/b16-13-.
What are the key properties of 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59151583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).