N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide

C14H18F3N3O — CID 115737122

IUPACN-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(C(F)(F)F)cn1)C1CCNC1
InChIInChI=1S/C14H18F3N3O/c1-2-7-20(11-5-6-18-9-11)13(21)12-4-3-10(8-19-12)14(15,16)17/h3-4,8,11,18H,2,5-7,9H2,1H3
InChIKeyBWIIIUBUDGIKPM-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.31
Rot. Bonds4

About N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide

N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 115737122) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID115737122
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCN(C(=O)c1ccc(C(F)(F)F)cn1)C1CCNC1
InChIInChI=1S/C14H18F3N3O/c1-2-7-20(11-5-6-18-9-11)13(21)12-4-3-10(8-19-12)14(15,16)17/h3-4,8,11,18H,2,5-7,9H2,1H3
InChIKeyBWIIIUBUDGIKPM-UHFFFAOYSA-N
XLogP2.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-piperidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909185
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide;dihydrochloride
CID 119552569
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119532019
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119532219

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 115737122) is N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide is CCCN(C(=O)c1ccc(C(F)(F)F)cn1)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BWIIIUBUDGIKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-2-7-20(11-5-6-18-9-11)13(21)12-4-3-10(8-19-12)14(15,16)17/h3-4,8,11,18H,2,5-7,9H2,1H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide?
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115737122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).