4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C26H26N8O — CID 71452326

IUPAC4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccncc1)CC2
InChIInChI=1S/C26H26N8O/c1-33(16-9-20-4-2-3-11-29-20)25-22-18-34(26(35)30-21-7-14-28-15-8-21)17-10-23(22)31-24(32-25)19-5-12-27-13-6-19/h2-8,11-15H,9-10,16-18H2,1H3,(H,28,30,35)
InChIKeyRGKAOJYFEUDHPV-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.60
Rot. Bonds6

About 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71452326) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71452326
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccncc1)CC2
InChIInChI=1S/C26H26N8O/c1-33(16-9-20-4-2-3-11-29-20)25-22-18-34(26(35)30-21-7-14-28-15-8-21)17-10-23(22)31-24(32-25)19-5-12-27-13-6-19/h2-8,11-15H,9-10,16-18H2,1H3,(H,28,30,35)
InChIKeyRGKAOJYFEUDHPV-UHFFFAOYSA-N
XLogP3.60
TPSA100.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71452326) is 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccncc1)CC2.
What is the InChIKey of 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is RGKAOJYFEUDHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c1-33(16-9-20-4-2-3-11-29-20)25-22-18-34(26(35)30-21-7-14-28-15-8-21)17-10-23(22)31-24(32-25)19-5-12-27-13-6-19/h2-8,11-15H,9-10,16-18H2,1H3,(H,28,30,35).
What are the key properties of 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71452326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).