5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H17F3N6O — CID 71736014

IUPAC5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESNc1ncc2c(n1)CCN(c1cncc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)C2
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)14-2-1-3-15(7-14)27-18(30)12-6-16(10-25-8-12)29-5-4-17-13(11-29)9-26-19(24)28-17/h1-3,6-10H,4-5,11H2,(H,27,30)(H2,24,26,28)
InChIKeyMYZMNTZXXUVVOM-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.29
Rot. Bonds3

About 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 71736014) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID71736014
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESNc1ncc2c(n1)CCN(c1cncc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)C2
InChIInChI=1S/C20H17F3N6O/c21-20(22,23)14-2-1-3-15(7-14)27-18(30)12-6-16(10-25-8-12)29-5-4-17-13(11-29)9-26-19(24)28-17/h1-3,6-10H,4-5,11H2,(H,27,30)(H2,24,26,28)
InChIKeyMYZMNTZXXUVVOM-UHFFFAOYSA-N
XLogP3.29
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 71736014) is 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Nc1ncc2c(n1)CCN(c1cncc(C(=O)Nc3cccc(C(F)(F)F)c3)c1)C2.
What is the InChIKey of 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is MYZMNTZXXUVVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c21-20(22,23)14-2-1-3-15(7-14)27-18(30)12-6-16(10-25-8-12)29-5-4-17-13(11-29)9-26-19(24)28-17/h1-3,6-10H,4-5,11H2,(H,27,30)(H2,24,26,28).
What are the key properties of 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71736014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).