3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide

C17H18ClFN2O — CID 95932136

IUPAC3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O/c1-17(2,3)15(11-4-6-12(19)7-5-11)21-16(22)13-8-9-20-10-14(13)18/h4-10,15H,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyNQBJLMOCPSBWPA-HNNXBMFYSA-N
MW320.80 g/mol
LogP4.39
Rot. Bonds3

About 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide

3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide (PubChem CID 95932136) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide
PubChem CID95932136
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O/c1-17(2,3)15(11-4-6-12(19)7-5-11)21-16(22)13-8-9-20-10-14(13)18/h4-10,15H,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyNQBJLMOCPSBWPA-HNNXBMFYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 91643691
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
CID 122559790

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide (CID 95932136) is 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide is CC(C)(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide?
The InChIKey is NQBJLMOCPSBWPA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-17(2,3)15(11-4-6-12(19)7-5-11)21-16(22)13-8-9-20-10-14(13)18/h4-10,15H,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide?
3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide has a molecular weight of 320.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 95932136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).