2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C20H22F3N5O — CID 46329752

IUPAC2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C20H22F3N5O/c21-20(22,23)15-6-2-3-7-17(15)26-19(29)28-11-8-16-14(13-28)12-24-18(25-16)27-9-4-1-5-10-27/h2-3,6-7,12H,1,4-5,8-11,13H2,(H,26,29)
InChIKeyRLMNGWNPMCSEGK-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.08
Rot. Bonds2

About 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46329752) has the molecular formula C20H22F3N5O and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID46329752
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC Name2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C20H22F3N5O/c21-20(22,23)15-6-2-3-7-17(15)26-19(29)28-11-8-16-14(13-28)12-24-18(25-16)27-9-4-1-5-10-27/h2-3,6-7,12H,1,4-5,8-11,13H2,(H,26,29)
InChIKeyRLMNGWNPMCSEGK-UHFFFAOYSA-N
XLogP4.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147150
4-(6-piperidin-1-ylpyridazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122334838
2-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297596
tert-butyl 2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 46261777
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3822630
2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788676
2-[(4-fluorophenyl)methyl]-4-oxo-N-[2-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 137255496
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
CID 67542092
3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60765025
methyl 2-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]benzoate
CID 53147227
N-(2-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836103

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46329752) is 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc(N3CCCCC3)ncc2C1.
What is the InChIKey of 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is RLMNGWNPMCSEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O/c21-20(22,23)15-6-2-3-7-17(15)26-19(29)28-11-8-16-14(13-28)12-24-18(25-16)27-9-4-1-5-10-27/h2-3,6-7,12H,1,4-5,8-11,13H2,(H,26,29).
What are the key properties of 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46329752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).