N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide

C22H27N3O — CID 10712781

IUPACN-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
SMILESCCC(CCC#N)c1ncccc1-c1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C22H27N3O/c1-5-16(10-8-14-23)20-18(12-9-15-24-20)17-11-6-7-13-19(17)25-21(26)22(2,3)4/h6-7,9,11-13,15-16H,5,8,10H2,1-4H3,(H,25,26)
InChIKeyBPBXUPBDGILFDQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.53
Rot. Bonds6

About N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide

N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 10712781) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
PubChem CID10712781
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
SMILESCCC(CCC#N)c1ncccc1-c1ccccc1NC(=O)C(C)(C)C
InChIInChI=1S/C22H27N3O/c1-5-16(10-8-14-23)20-18(12-9-15-24-20)17-11-6-7-13-19(17)25-21(26)22(2,3)4/h6-7,9,11-13,15-16H,5,8,10H2,1-4H3,(H,25,26)
InChIKeyBPBXUPBDGILFDQ-UHFFFAOYSA-N
XLogP5.53
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11067056
N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 11822715
2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043546
N-(2-formyl-3-pyridinyl)-2,2-dimethylpropanamide
CID 121217282
2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
CID 4170097
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2-cyano-N-(2-methyl-3-pyridinyl)-2-propylpentanamide
CID 79043206
2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide
CID 79797005
N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 66959030
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2-(2,2-dimethylpropanoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 134110201

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide (CID 10712781) is N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide is CCC(CCC#N)c1ncccc1-c1ccccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is BPBXUPBDGILFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-5-16(10-8-14-23)20-18(12-9-15-24-20)17-11-6-7-13-19(17)25-21(26)22(2,3)4/h6-7,9,11-13,15-16H,5,8,10H2,1-4H3,(H,25,26).
What are the key properties of N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide?
N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10712781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).