4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C11H14F3N3O — CID 62172967

IUPAC4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O/c1-2-4-15-8-3-5-16-9(6-8)10(18)17-7-11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyVPFDUSBKTXLSHH-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.20
Rot. Bonds5

About 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 62172967) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID62172967
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3O/c1-2-4-15-8-3-5-16-9(6-8)10(18)17-7-11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyVPFDUSBKTXLSHH-UHFFFAOYSA-N
XLogP2.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
N-[2-(dimethylamino)propyl]-4-(propylamino)pyridine-2-carboxamide
CID 55047383
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 62168705
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
N-[2-(ethylsulfamoyl)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 106342591
4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172972
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 62172967) is 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is VPFDUSBKTXLSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-2-4-15-8-3-5-16-9(6-8)10(18)17-7-11(12,13)14/h3,5-6H,2,4,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62172967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).