N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide

C14H12ClN5O — CID 114923550

IUPACN-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2nc3ccccc3[nH]2)c(Cl)cn1
InChIInChI=1S/C14H12ClN5O/c1-16-12-6-8(9(15)7-17-12)13(21)20-14-18-10-4-2-3-5-11(10)19-14/h2-7H,1H3,(H,16,17)(H2,18,19,20,21)
InChIKeyRJLIMBFIRIEWSY-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.91
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide

N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114923550) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
PubChem CID114923550
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC NameN-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2nc3ccccc3[nH]2)c(Cl)cn1
InChIInChI=1S/C14H12ClN5O/c1-16-12-6-8(9(15)7-17-12)13(21)20-14-18-10-4-2-3-5-11(10)19-14/h2-7H,1H3,(H,16,17)(H2,18,19,20,21)
InChIKeyRJLIMBFIRIEWSY-UHFFFAOYSA-N
XLogP2.91
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
N-(1H-benzimidazol-2-yl)-4-(methylamino)pyridine-3-carboxamide
CID 81241343
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
5-chloro-N-(3-chloro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 103094800
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114921871
5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924765
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 63563955
N-(1H-benzimidazol-2-yl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81245865
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide (CID 114923550) is N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2nc3ccccc3[nH]2)c(Cl)cn1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is RJLIMBFIRIEWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-16-12-6-8(9(15)7-17-12)13(21)20-14-18-10-4-2-3-5-11(10)19-14/h2-7H,1H3,(H,16,17)(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide?
N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114923550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).