N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide

C18H14Cl2N4O — CID 121381941

IUPACN-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide
SMILESCc1cc(Cl)ncc1-c1ccc(NC(=O)c2ccc(Cl)cc2)nc1N
InChIInChI=1S/C18H14Cl2N4O/c1-10-8-15(20)22-9-14(10)13-6-7-16(23-17(13)21)24-18(25)11-2-4-12(19)5-3-11/h2-9H,1H3,(H3,21,23,24,25)
InChIKeyGVWIOQZBHGQSID-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.59
Rot. Bonds3

About N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide

N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide (PubChem CID 121381941) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide
PubChem CID121381941
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC NameN-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide
SMILESCc1cc(Cl)ncc1-c1ccc(NC(=O)c2ccc(Cl)cc2)nc1N
InChIInChI=1S/C18H14Cl2N4O/c1-10-8-15(20)22-9-14(10)13-6-7-16(23-17(13)21)24-18(25)11-2-4-12(19)5-3-11/h2-9H,1H3,(H3,21,23,24,25)
InChIKeyGVWIOQZBHGQSID-UHFFFAOYSA-N
XLogP4.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide
CID 123596980
N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487462
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487185
N-[6-amino-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]-2-pyridinyl]-4-methylbenzamide
CID 58486948
N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487003
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487028
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide
CID 113262953
N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide
CID 153409491
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide?
The IUPAC name of N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide (CID 121381941) is N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide.
What is the SMILES notation for N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide?
The canonical SMILES for N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide is Cc1cc(Cl)ncc1-c1ccc(NC(=O)c2ccc(Cl)cc2)nc1N.
What is the InChIKey of N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide?
The InChIKey is GVWIOQZBHGQSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-10-8-15(20)22-9-14(10)13-6-7-16(23-17(13)21)24-18(25)11-2-4-12(19)5-3-11/h2-9H,1H3,(H3,21,23,24,25).
What are the key properties of N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide?
N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide has a molecular weight of 373.24 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide is sourced from PubChem (CID 121381941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).