N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide

C12H14F2N2O — CID 105380347

IUPACN-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccnc(F)c1F)C1CC1
InChIInChI=1S/C12H14F2N2O/c1-2-7-16(8-3-4-8)12(17)9-5-6-15-11(14)10(9)13/h5-6,8H,2-4,7H2,1H3
InChIKeyXIMDLLDXBFSNEP-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.37
Rot. Bonds4

About N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide

N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide (PubChem CID 105380347) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide
PubChem CID105380347
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccnc(F)c1F)C1CC1
InChIInChI=1S/C12H14F2N2O/c1-2-7-16(8-3-4-8)12(17)9-5-6-15-11(14)10(9)13/h5-6,8H,2-4,7H2,1H3
InChIKeyXIMDLLDXBFSNEP-UHFFFAOYSA-N
XLogP2.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380342
N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide
CID 105380891
N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385444
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
N-cyclopropyl-3-(methylamino)-N-propylpyridine-4-carboxamide
CID 105068558
N-(4-aminocyclohexyl)-3-chloro-2-fluoro-N-propylbenzamide
CID 81265864
N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
CID 79749886
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
N-cyclopropyl-N-propyl-2-sulfanylbenzamide
CID 107022431

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide (CID 105380347) is N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide is CCCN(C(=O)c1ccnc(F)c1F)C1CC1.
What is the InChIKey of N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide?
The InChIKey is XIMDLLDXBFSNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-2-7-16(8-3-4-8)12(17)9-5-6-15-11(14)10(9)13/h5-6,8H,2-4,7H2,1H3.
What are the key properties of N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide?
N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 105380347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).