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

C22H28F3N5O — CID 147600913

IUPACN-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)NC(CCN)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C22H28F3N5O/c1-14(2)11-20-27-12-16-8-10-30(13-19(16)28-20)21(31)29-18(7-9-26)15-3-5-17(6-4-15)22(23,24)25/h3-6,12,14,18H,7-11,13,26H2,1-2H3,(H,29,31)
InChIKeyGACTYZYFJPJINO-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.85
Rot. Bonds6

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

N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 147600913) has the molecular formula C22H28F3N5O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID147600913
Molecular FormulaC22H28F3N5O
Molecular Weight435.49 g/mol
Exact Mass435.22
IUPAC NameN-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC(C)Cc1ncc2c(n1)CN(C(=O)NC(CCN)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C22H28F3N5O/c1-14(2)11-20-27-12-16-8-10-30(13-19(16)28-20)21(31)29-18(7-9-26)15-3-5-17(6-4-15)22(23,24)25/h3-6,12,14,18H,7-11,13,26H2,1-2H3,(H,29,31)
InChIKeyGACTYZYFJPJINO-UHFFFAOYSA-N
XLogP3.85
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 147434864
2-(2-methylpropyl)-N-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 159757187
N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-(6-oxo-1H-pyridin-2-yl)methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 158764033
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-3-hydroxy-2-methylpropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 159367600
N-[(1R)-1-[4-(difluoromethoxy)phenyl]propyl]-2-[(2R)-3-hydroxy-2-methylpropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 162001853
N-[3-amino-1-(3-chlorophenyl)propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 140626419
N-[(S)-(4-chloro-3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 158703555
N-[1-(4-chlorophenyl)-3-(methylamino)propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 72680176
N-[(1R)-1-(4-fluorophenyl)propyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 159160288
N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 131733486
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-[(3-chloro-4-fluorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 158837024
N-[1-(3-fluoro-4-methoxyphenyl)butyl]-2-(1-hydroxypropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 140626324

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 147600913) is N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CC(C)Cc1ncc2c(n1)CN(C(=O)NC(CCN)c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is GACTYZYFJPJINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O/c1-14(2)11-20-27-12-16-8-10-30(13-19(16)28-20)21(31)29-18(7-9-26)15-3-5-17(6-4-15)22(23,24)25/h3-6,12,14,18H,7-11,13,26H2,1-2H3,(H,29,31).
What are the key properties of N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-[4-(trifluoromethyl)phenyl]propyl]-2-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 147600913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).