2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide

C21H21F3N4O3 — CID 71540175

IUPAC2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(C2CC2)nc2c1CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C21H21F3N4O3/c22-21(23,24)31-14-6-1-12(2-7-14)3-8-17(29)28-10-9-16-15(11-28)18(19(25)30)27-20(26-16)13-4-5-13/h1-2,6-7,13H,3-5,8-11H2,(H2,25,30)
InChIKeyMKQSXFDTQJFJRI-UHFFFAOYSA-N
MW434.42 g/mol
LogP2.87
Rot. Bonds6

About 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide

2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (PubChem CID 71540175) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
PubChem CID71540175
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC Name2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(C2CC2)nc2c1CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C21H21F3N4O3/c22-21(23,24)31-14-6-1-12(2-7-14)3-8-17(29)28-10-9-16-15(11-28)18(19(25)30)27-20(26-16)13-4-5-13/h1-2,6-7,13H,3-5,8-11H2,(H2,25,30)
InChIKeyMKQSXFDTQJFJRI-UHFFFAOYSA-N
XLogP2.87
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 664371
2-(4-acetylpiperazin-1-yl)-6-propan-2-yl-4-[[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25118337
2-(4-acetylpiperazin-1-yl)-6-propan-2-yl-4-[[4-(trifluoromethoxy)phenyl]methylamino]-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431775
CID 57658935
CID 57658935
2-(ethylamino)-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71540073
N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 148916671
[4-[2-Amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 10071471
2-ethyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71540078
2-ethoxy-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71540174
2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71541723
4-(4-Methoxybenzyl)-6-[1-(phenylcarbonyl)piperidin-4-yl]pyrimidin-2-amine
CID 15428768
[4-[2-Amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 15428769

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide (CID 71540175) is 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is NC(=O)c1nc(C2CC2)nc2c1CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2.
What is the InChIKey of 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
The InChIKey is MKQSXFDTQJFJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c22-21(23,24)31-14-6-1-12(2-7-14)3-8-17(29)28-10-9-16-15(11-28)18(19(25)30)27-20(26-16)13-4-5-13/h1-2,6-7,13H,3-5,8-11H2,(H2,25,30).
What are the key properties of 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide?
2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 71540175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).