5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide

C14H13ClFN3O2 — CID 59151571

IUPAC5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H13ClFN3O2/c1-21-12-3-2-8(4-11(12)16)6-19-7-9(15)5-10(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)/b17-13-
InChIKeyPHCBIGKDMQWJCN-LGMDPLHJSA-N
MW309.73 g/mol
LogP1.92
Rot. Bonds4

About 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide

5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 59151571) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID59151571
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H13ClFN3O2/c1-21-12-3-2-8(4-11(12)16)6-19-7-9(15)5-10(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)/b17-13-
InChIKeyPHCBIGKDMQWJCN-LGMDPLHJSA-N
XLogP1.92
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide (CID 59151571) is 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(OC)c(F)c1.
What is the InChIKey of 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is PHCBIGKDMQWJCN-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-21-12-3-2-8(4-11(12)16)6-19-7-9(15)5-10(13(19)17)14(18)20/h2-5,7,17H,6H2,1H3,(H2,18,20)/b17-13-.
What are the key properties of 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide has a molecular weight of 309.73 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 59151571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).