2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

C22H24F3N5O4 — CID 135994008

IUPAC2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC1CC(C)CN(c2nc3c(c(=O)[nH]2)C(C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)C1
InChIInChI=1S/C22H24F3N5O4/c1-11-6-12(2)10-30(9-11)21-28-18-17(20(33)29-21)15(8-16(31)27-18)19(32)26-13-4-3-5-14(7-13)34-22(23,24)25/h3-5,7,11-12,15H,6,8-10H2,1-2H3,(H,26,32)(H2,27,28,29,31,33)
InChIKeyVYMZZVGALXTCCY-UHFFFAOYSA-N
MW479.46 g/mol
LogP3.22
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide

2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 135994008) has the molecular formula C22H24F3N5O4 and a molecular weight of 479.46 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID135994008
Molecular FormulaC22H24F3N5O4
Molecular Weight479.46 g/mol
Exact Mass479.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC1CC(C)CN(c2nc3c(c(=O)[nH]2)C(C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)C1
InChIInChI=1S/C22H24F3N5O4/c1-11-6-12(2)10-30(9-11)21-28-18-17(20(33)29-21)15(8-16(31)27-18)19(32)26-13-4-3-5-14(7-13)34-22(23,24)25/h3-5,7,11-12,15H,6,8-10H2,1-2H3,(H,26,32)(H2,27,28,29,31,33)
InChIKeyVYMZZVGALXTCCY-UHFFFAOYSA-N
XLogP3.22
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

(5R)-N-(3,4-dimethylphenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875397
(5R)-N-(3,4-dimethylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742675
(5S)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-N-[4-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875493
(5S)-N-(3-methoxyphenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135929839
(5S)-N-(3-methylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136742710
(5S)-N-(3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875495
(5R)-N-(3-chlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137027956
(5R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875438
2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994693
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135646567
(5R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137027988
2-(3,5-dimethylpiperidin-1-yl)-N-(2-methoxy-4-nitrophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135993942

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide (CID 135994008) is 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is CC1CC(C)CN(c2nc3c(c(=O)[nH]2)C(C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VYMZZVGALXTCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O4/c1-11-6-12(2)10-30(9-11)21-28-18-17(20(33)29-21)15(8-16(31)27-18)19(32)26-13-4-3-5-14(7-13)34-22(23,24)25/h3-5,7,11-12,15H,6,8-10H2,1-2H3,(H,26,32)(H2,27,28,29,31,33).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide?
2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 135994008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).