N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C19H21F3N4O — CID 99700655

IUPACN-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C19H21F3N4O/c1-13(14-4-8-23-9-5-14)26-10-6-16(7-11-26)25-18(27)15-2-3-17(24-12-15)19(20,21)22/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3,(H,25,27)/t13-/m0/s1
InChIKeySFNRAZVUXPDRGN-ZDUSSCGKSA-N
MW378.40 g/mol
LogP3.45
Rot. Bonds4

About N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 99700655) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID99700655
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C19H21F3N4O/c1-13(14-4-8-23-9-5-14)26-10-6-16(7-11-26)25-18(27)15-2-3-17(24-12-15)19(20,21)22/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3,(H,25,27)/t13-/m0/s1
InChIKeySFNRAZVUXPDRGN-ZDUSSCGKSA-N
XLogP3.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 99700655) is N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SFNRAZVUXPDRGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-13(14-4-8-23-9-5-14)26-10-6-16(7-11-26)25-18(27)15-2-3-17(24-12-15)19(20,21)22/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3,(H,25,27)/t13-/m0/s1.
What are the key properties of N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 99700655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).