6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide

C16H18ClN3O — CID 62186305

IUPAC6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11(7-8-12-5-3-2-4-6-12)19-16(21)15-13(17)9-10-14(18)20-15/h2-6,9-11H,7-8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyDTMUPQZNKNPUPO-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.07
Rot. Bonds5

About 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide

6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 62186305) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
PubChem CID62186305
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11(7-8-12-5-3-2-4-6-12)19-16(21)15-13(17)9-10-14(18)20-15/h2-6,9-11H,7-8H2,1H3,(H2,18,20)(H,19,21)
InChIKeyDTMUPQZNKNPUPO-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-chloro-N-[1-(diethylamino)propan-2-yl]pyridine-2-carboxamide
CID 62161278
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
6-amino-3-chloro-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 55257710
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
6-amino-3-chloro-N-methylpyridine-2-carboxamide
CID 62156050
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
CID 62200974
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
CID 71807160

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide (CID 62186305) is 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide is CC(CCc1ccccc1)NC(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is DTMUPQZNKNPUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(7-8-12-5-3-2-4-6-12)19-16(21)15-13(17)9-10-14(18)20-15/h2-6,9-11H,7-8H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide?
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62186305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).