2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide

C18H18ClN3O — CID 110615043

IUPAC2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide
SMILESCC(C)(C#N)NC(=O)C(Cc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O/c1-18(2,12-20)22-17(23)16(11-13-7-9-21-10-8-13)14-3-5-15(19)6-4-14/h3-10,16H,11H2,1-2H3,(H,22,23)
InChIKeySDYOCPSWAFTLQR-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.48
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide

2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide (PubChem CID 110615043) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide
PubChem CID110615043
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide
SMILESCC(C)(C#N)NC(=O)C(Cc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O/c1-18(2,12-20)22-17(23)16(11-13-7-9-21-10-8-13)14-3-5-15(19)6-4-14/h3-10,16H,11H2,1-2H3,(H,22,23)
InChIKeySDYOCPSWAFTLQR-UHFFFAOYSA-N
XLogP3.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide
CID 110615037
N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide
CID 110615036
2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide
CID 110296890
2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
CID 110296865
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
CID 110296857
3-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-4-methylpentanamide
CID 110615058
2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
2-(4-chlorophenyl)-3-pyridin-2-yl-N-(pyridin-4-ylmethyl)propanamide
CID 110296687
2-(4-chlorophenyl)-1-(3-methylmorpholin-4-yl)-3-pyridin-4-ylpropan-1-one
CID 110309794
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
1-(4-chlorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553099

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide (CID 110615043) is 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide is CC(C)(C#N)NC(=O)C(Cc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is SDYOCPSWAFTLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-18(2,12-20)22-17(23)16(11-13-7-9-21-10-8-13)14-3-5-15(19)6-4-14/h3-10,16H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide?
2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide has a molecular weight of 327.82 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-cyanopropan-2-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110615043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).