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

C14H15BrClN3O — CID 68662047

IUPAC5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide
SMILESBr.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C)c1
InChIInChI=1S/C14H14ClN3O.BrH/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);1H/b16-13-;
InChIKeyBWQXZRPDMKSPDF-UNVLYCKESA-N
MW356.65 g/mol
LogP2.65
Rot. Bonds3

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

5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide (PubChem CID 68662047) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide.

Molecular Properties

Compound Name5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide
PubChem CID68662047
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide
SMILESBr.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C)c1
InChIInChI=1S/C14H14ClN3O.BrH/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);1H/b16-13-;
InChIKeyBWQXZRPDMKSPDF-UNVLYCKESA-N
XLogP2.65
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-imino-5-methylpyridine-3-carboxamide;hydrobromide
CID 68661775
5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151575
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-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68662284
5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151571
5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 143660736
1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
CID 68661897
1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 89111989
1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 70994800
[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]methanesulfinate;hydrochloride
CID 174627708
5-chloro-1-[(2,3-difluorophenyl)methyl]-2-iminopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87534643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide?
The IUPAC name of 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide (CID 68662047) is 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide.
What is the SMILES notation for 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide?
The canonical SMILES for 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide is Br.[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;hydrobromide?
The InChIKey is BWQXZRPDMKSPDF-UNVLYCKESA-N. The full InChI is InChI=1S/C14H14ClN3O.BrH/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);1H/b16-13-;.
What are the key properties of 5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide?
5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide has a molecular weight of 356.65 g/mol, XLogP of 2.65, 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;hydrobromide is sourced from PubChem (CID 68662047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).