N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide

C12H16FN3O — CID 79401055

IUPACN-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
SMILESO=C(CCCNc1ccc(F)cn1)NC1CC1
InChIInChI=1S/C12H16FN3O/c13-9-3-6-11(15-8-9)14-7-1-2-12(17)16-10-4-5-10/h3,6,8,10H,1-2,4-5,7H2,(H,14,15)(H,16,17)
InChIKeyQOWYGUHQCXQRNS-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.69
Rot. Bonds6

About N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide

N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide (PubChem CID 79401055) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
PubChem CID79401055
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
SMILESO=C(CCCNc1ccc(F)cn1)NC1CC1
InChIInChI=1S/C12H16FN3O/c13-9-3-6-11(15-8-9)14-7-1-2-12(17)16-10-4-5-10/h3,6,8,10H,1-2,4-5,7H2,(H,14,15)(H,16,17)
InChIKeyQOWYGUHQCXQRNS-UHFFFAOYSA-N
XLogP1.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.69
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-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
CID 79400956
N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide
CID 133490173
N-cyclopropyl-5-fluoropyridin-2-amine
CID 61313330
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 78954830
N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
CID 115646353
3-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 61313740
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide (CID 79401055) is N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide is O=C(CCCNc1ccc(F)cn1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide?
The InChIKey is QOWYGUHQCXQRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-9-3-6-11(15-8-9)14-7-1-2-12(17)16-10-4-5-10/h3,6,8,10H,1-2,4-5,7H2,(H,14,15)(H,16,17).
What are the key properties of N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide?
N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide has a molecular weight of 237.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 79401055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).