3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide

C16H17F3N6O3 — CID 118543409

IUPAC3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide
SMILESNC1=C(C(=O)NC2CCCN(c3nccc(C(F)(F)F)n3)C2)NC(=O)CC1=O
InChIInChI=1S/C16H17F3N6O3/c17-16(18,19)10-3-4-21-15(23-10)25-5-1-2-8(7-25)22-14(28)13-12(20)9(26)6-11(27)24-13/h3-4,8H,1-2,5-7,20H2,(H,22,28)(H,24,27)
InChIKeyZYEJJAQWNPWDNM-UHFFFAOYSA-N
MW398.35 g/mol
LogP-0.16
Rot. Bonds3

About 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide

3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide (PubChem CID 118543409) has the molecular formula C16H17F3N6O3 and a molecular weight of 398.35 g/mol. Its IUPAC name is 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide
PubChem CID118543409
Molecular FormulaC16H17F3N6O3
Molecular Weight398.35 g/mol
Exact Mass398.13
IUPAC Name3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide
SMILESNC1=C(C(=O)NC2CCCN(c3nccc(C(F)(F)F)n3)C2)NC(=O)CC1=O
InChIInChI=1S/C16H17F3N6O3/c17-16(18,19)10-3-4-21-15(23-10)25-5-1-2-8(7-25)22-14(28)13-12(20)9(26)6-11(27)24-13/h3-4,8H,1-2,5-7,20H2,(H,22,28)(H,24,27)
InChIKeyZYEJJAQWNPWDNM-UHFFFAOYSA-N
XLogP-0.16
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide with MolForge

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Related Compounds

1-Cyclohexyl-3-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]urea
CID 2810981
N-Cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 56593003
4-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]piperazin-2-one
CID 56862186
(7R,8aS)-7-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56865816
3-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]amino}piperidin-2-one
CID 56866993
N-[3-(4-isopropylpiperazin-1-yl)-3-oxopropyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56879401
Pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone
CID 56884515
3-[4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one
CID 71846422
6-oxo-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-1,6-dihydropyridine-3-carboxamide
CID 91631417
(3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-2-one
CID 94219227
N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 132361355
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 11682372

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide (CID 118543409) is 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide is NC1=C(C(=O)NC2CCCN(c3nccc(C(F)(F)F)n3)C2)NC(=O)CC1=O.
What is the InChIKey of 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide?
The InChIKey is ZYEJJAQWNPWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O3/c17-16(18,19)10-3-4-21-15(23-10)25-5-1-2-8(7-25)22-14(28)13-12(20)9(26)6-11(27)24-13/h3-4,8H,1-2,5-7,20H2,(H,22,28)(H,24,27).
What are the key properties of 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide?
3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide has a molecular weight of 398.35 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dioxo-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118543409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).