6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide

C16H18ClN3O — CID 62186973

IUPAC6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(CNC(=O)c2cnc(N)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O/c1-10(2)12-5-3-11(4-6-12)8-20-16(21)13-7-14(17)15(18)19-9-13/h3-7,9-10H,8H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyXUBUXVXORAAOTA-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.37
Rot. Bonds4

About 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide

6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 62186973) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
PubChem CID62186973
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCC(C)c1ccc(CNC(=O)c2cnc(N)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O/c1-10(2)12-5-3-11(4-6-12)8-20-16(21)13-7-14(17)15(18)19-9-13/h3-7,9-10H,8H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyXUBUXVXORAAOTA-UHFFFAOYSA-N
XLogP3.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 115601161
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 55043681
6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616
6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
CID 79555286

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide (CID 62186973) is 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide is CC(C)c1ccc(CNC(=O)c2cnc(N)c(Cl)c2)cc1.
What is the InChIKey of 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is XUBUXVXORAAOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(2)12-5-3-11(4-6-12)8-20-16(21)13-7-14(17)15(18)19-9-13/h3-7,9-10H,8H2,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide?
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62186973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).