2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide

C11H13ClN4O — CID 107057196

IUPAC2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nccc(C#N)c1Cl
InChIInChI=1S/C11H13ClN4O/c1-3-14-11(17)7(2)16-10-9(12)8(6-13)4-5-15-10/h4-5,7H,3H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyGOPWROVXDZDAMZ-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.54
Rot. Bonds4

About 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide

2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide (PubChem CID 107057196) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide
PubChem CID107057196
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1nccc(C#N)c1Cl
InChIInChI=1S/C11H13ClN4O/c1-3-14-11(17)7(2)16-10-9(12)8(6-13)4-5-15-10/h4-5,7H,3H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyGOPWROVXDZDAMZ-UHFFFAOYSA-N
XLogP1.54
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-chloro-2-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 107057999
3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile
CID 107058460
3-chloro-2-(5-hydroxypentan-2-ylamino)pyridine-4-carbonitrile
CID 107058066
2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
CID 62494182
2-(2-cyanoanilino)-N-ethylpropanamide
CID 43086100
3-chloro-2-(hex-5-yn-3-ylamino)pyridine-4-carbonitrile
CID 107058411
2-(2-cyano-5-methylanilino)-N-ethylpropanamide
CID 62307281
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
CID 60658746
2-[1-(2-aminophenyl)ethylamino]-3-chloropyridine-4-carbonitrile
CID 107061450
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide (CID 107057196) is 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1nccc(C#N)c1Cl.
What is the InChIKey of 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide?
The InChIKey is GOPWROVXDZDAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-3-14-11(17)7(2)16-10-9(12)8(6-13)4-5-15-10/h4-5,7H,3H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide?
2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide has a molecular weight of 252.70 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 107057196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).