5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride

C14H13Cl2F2N3O — CID 66874299

IUPAC5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1\c(C(N)=O)cc(Cl)cn1[C@H](C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H12ClF2N3O.ClH/c1-7(8-2-10(16)5-11(17)3-8)20-6-9(15)4-12(13(20)18)14(19)21;/h2-7,18H,1H3,(H2,19,21);1H/b18-13+;/t7-;/m1./s1
InChIKeyYDKDOGXFTLAVHR-BILWDPHRSA-N
MW348.18 g/mol
LogP3.03
Rot. Bonds3

About 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride

5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride (PubChem CID 66874299) has the molecular formula C14H13Cl2F2N3O and a molecular weight of 348.18 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride
PubChem CID66874299
Molecular FormulaC14H13Cl2F2N3O
Molecular Weight348.18 g/mol
Exact Mass347.04
IUPAC Name5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1\c(C(N)=O)cc(Cl)cn1[C@H](C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H12ClF2N3O.ClH/c1-7(8-2-10(16)5-11(17)3-8)20-6-9(15)4-12(13(20)18)14(19)21;/h2-7,18H,1H3,(H2,19,21);1H/b18-13+;/t7-;/m1./s1
InChIKeyYDKDOGXFTLAVHR-BILWDPHRSA-N
XLogP3.03
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ADRA1D receptor antagonist 1 free base
CID 44470113
5-Chloro-1-[1-(3-chlorophenyl)ethyl]-2-imino-1,2-dihydropyridine-3-carboxamide
CID 44469973
1-Benzyl-5-chloro-2-iminopyridine-3-carboxamide
CID 1070749
1-Benzyl-5-bromo-2-iminopyridine-3-carboxamide
CID 13442845
5-Chloro-1-(3-chlorobenzyl)-2-imino-1,2-dihydropyridine-3-carboxamide
CID 25025048
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
5-Chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide
CID 59151651
1-Benzyl-2-iminopyridine-3-carboxamide
CID 127046608

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride (CID 66874299) is 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride is Cl.[H]/N=c1\c(C(N)=O)cc(Cl)cn1[C@H](C)c1cc(F)cc(F)c1.
What is the InChIKey of 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride?
The InChIKey is YDKDOGXFTLAVHR-BILWDPHRSA-N. The full InChI is InChI=1S/C14H12ClF2N3O.ClH/c1-7(8-2-10(16)5-11(17)3-8)20-6-9(15)4-12(13(20)18)14(19)21;/h2-7,18H,1H3,(H2,19,21);1H/b18-13+;/t7-;/m1./s1.
What are the key properties of 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride?
5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride has a molecular weight of 348.18 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-iminopyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 66874299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).