1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C17H19F3N6O — CID 133286281

IUPAC1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H19F3N6O/c18-17(19,20)13-3-7-23-16(25-13)24-10-12-2-1-6-22-15(12)26-8-4-11(5-9-26)14(21)27/h1-3,6-7,11H,4-5,8-10H2,(H2,21,27)(H,23,24,25)
InChIKeyYFQVDLRYUIKEMJ-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.20
Rot. Bonds5

About 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 133286281) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID133286281
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC Name1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H19F3N6O/c18-17(19,20)13-3-7-23-16(25-13)24-10-12-2-1-6-22-15(12)26-8-4-11(5-9-26)14(21)27/h1-3,6-7,11H,4-5,8-10H2,(H2,21,27)(H,23,24,25)
InChIKeyYFQVDLRYUIKEMJ-UHFFFAOYSA-N
XLogP2.20
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 133286281) is 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncccc2CNc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is YFQVDLRYUIKEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c18-17(19,20)13-3-7-23-16(25-13)24-10-12-2-1-6-22-15(12)26-8-4-11(5-9-26)14(21)27/h1-3,6-7,11H,4-5,8-10H2,(H2,21,27)(H,23,24,25).
What are the key properties of 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 133286281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).