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

C12H16ClN3O — CID 79401819

IUPAC4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESO=C(CCCNc1ncccc1Cl)NC1CC1
InChIInChI=1S/C12H16ClN3O/c13-10-3-1-7-14-12(10)15-8-2-4-11(17)16-9-5-6-9/h1,3,7,9H,2,4-6,8H2,(H,14,15)(H,16,17)
InChIKeyFTZTWRQGKFNEPE-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.21
Rot. Bonds6

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

4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide (PubChem CID 79401819) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
PubChem CID79401819
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESO=C(CCCNc1ncccc1Cl)NC1CC1
InChIInChI=1S/C12H16ClN3O/c13-10-3-1-7-14-12(10)15-8-2-4-11(17)16-9-5-6-9/h1,3,7,9H,2,4-6,8H2,(H,14,15)(H,16,17)
InChIKeyFTZTWRQGKFNEPE-UHFFFAOYSA-N
XLogP2.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970
4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 107058013
7-[(3-chloro-2-pyridinyl)amino]heptanoic acid
CID 24694576
N-cyclopropyl-4-[(3,5,6-trichloro-2-pyridinyl)amino]butanamide
CID 102751454
N-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598969
N-cyclopropyl-4-[(4-methylphthalazin-1-yl)amino]butanamide
CID 112730869
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide
CID 47417650
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]pyridine-3-carboxylic acid
CID 79377281
3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
CID 104742549
3-[(2-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 113220281
N-cyclopropyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 79400978

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide (CID 79401819) is 4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide is O=C(CCCNc1ncccc1Cl)NC1CC1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The InChIKey is FTZTWRQGKFNEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-3-1-7-14-12(10)15-8-2-4-11(17)16-9-5-6-9/h1,3,7,9H,2,4-6,8H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide?
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide has a molecular weight of 253.73 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79401819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).