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

C13H15ClN4O — CID 107058013

IUPAC4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESN#Cc1ccnc(NCCCC(=O)NC2CC2)c1Cl
InChIInChI=1S/C13H15ClN4O/c14-12-9(8-15)5-7-17-13(12)16-6-1-2-11(19)18-10-3-4-10/h5,7,10H,1-4,6H2,(H,16,17)(H,18,19)
InChIKeyYZWLWZBFOMZHPD-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.08
Rot. Bonds6

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

4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide (PubChem CID 107058013) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide
PubChem CID107058013
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESN#Cc1ccnc(NCCCC(=O)NC2CC2)c1Cl
InChIInChI=1S/C13H15ClN4O/c14-12-9(8-15)5-7-17-13(12)16-6-1-2-11(19)18-10-3-4-10/h5,7,10H,1-4,6H2,(H,16,17)(H,18,19)
InChIKeyYZWLWZBFOMZHPD-UHFFFAOYSA-N
XLogP2.08
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide
CID 79393897
4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317003
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970
4-(5-acetyl-2-cyanoanilino)-N-cyclopropylbutanamide
CID 133456217
N-cyclopropyl-4-[(3,5,6-trichloro-2-pyridinyl)amino]butanamide
CID 102751454
N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 79400978
3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
CID 107058420
4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
CID 116796107
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
3-chloro-2-[2-[cyclopropyl(ethyl)amino]ethylamino]pyridine-4-carbonitrile
CID 114132665

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide (CID 107058013) is 4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide is N#Cc1ccnc(NCCCC(=O)NC2CC2)c1Cl.
What is the InChIKey of 4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The InChIKey is YZWLWZBFOMZHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-12-9(8-15)5-7-17-13(12)16-6-1-2-11(19)18-10-3-4-10/h5,7,10H,1-4,6H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide?
4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide has a molecular weight of 278.74 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 107058013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).