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

C14H10Cl2N4O — CID 59151545

IUPAC5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(C#N)ccc1Cl
InChIInChI=1S/C14H10Cl2N4O/c15-10-4-11(14(19)21)13(18)20(7-10)6-9-3-8(5-17)1-2-12(9)16/h1-4,7,18H,6H2,(H2,19,21)/b18-13-
InChIKeyPSKNGJIMJPFPFH-AQTBWJFISA-N
MW321.17 g/mol
LogP2.29
Rot. Bonds3

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

5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 59151545) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID59151545
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(C#N)ccc1Cl
InChIInChI=1S/C14H10Cl2N4O/c15-10-4-11(14(19)21)13(18)20(7-10)6-9-3-8(5-17)1-2-12(9)16/h1-4,7,18H,6H2,(H2,19,21)/b18-13-
InChIKeyPSKNGJIMJPFPFH-AQTBWJFISA-N
XLogP2.29
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151671
1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 70994800
5-chloro-1-[1-(4-cyanophenyl)ethyl]-2-iminopyridine-3-carboxamide
CID 58150024
[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]methanesulfinate;hydrochloride
CID 174627708
5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 66970134
5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151575
5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 143660736
5-chloro-1-[(2,3-difluorophenyl)methyl]-2-iminopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87534643
5-chloro-1-[2-(3,4-dichlorophenoxy)propyl]-2-iminopyridine-3-carboxamide
CID 59151632
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 59151563
5-chloro-2-imino-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59151603
5-chloro-1-[(3,5-difluorophenyl)methyl]-2-iminopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87534694

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide (CID 59151545) is 5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(C#N)ccc1Cl.
What is the InChIKey of 5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is PSKNGJIMJPFPFH-AQTBWJFISA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-10-4-11(14(19)21)13(18)20(7-10)6-9-3-8(5-17)1-2-12(9)16/h1-4,7,18H,6H2,(H2,19,21)/b18-13-.
What are the key properties of 5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 59151545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).