3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide

C18H21ClN2O — CID 95905491

IUPAC3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1Cl)C(C)(C)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-4-16(18(2,3)13-8-6-5-7-9-13)21-17(22)14-10-11-20-12-15(14)19/h5-12,16H,4H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyHZSDLWMJDUPXAZ-INIZCTEOSA-N
MW316.83 g/mol
LogP4.22
Rot. Bonds5

About 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide

3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide (PubChem CID 95905491) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide
PubChem CID95905491
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1ccncc1Cl)C(C)(C)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-4-16(18(2,3)13-8-6-5-7-9-13)21-17(22)14-10-11-20-12-15(14)19/h5-12,16H,4H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyHZSDLWMJDUPXAZ-INIZCTEOSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 66484685
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide
CID 66462809
(2R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750607
(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857
3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide
CID 75393333
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide (CID 95905491) is 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide is CC[C@H](NC(=O)c1ccncc1Cl)C(C)(C)c1ccccc1.
What is the InChIKey of 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide?
The InChIKey is HZSDLWMJDUPXAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-4-16(18(2,3)13-8-6-5-7-9-13)21-17(22)14-10-11-20-12-15(14)19/h5-12,16H,4H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide?
3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide has a molecular weight of 316.83 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95905491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).