N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C22H24N6O3 — CID 71450432

IUPACN-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3ccc(=O)[nH]c3)nc(OC(C)C)c2C1
InChIInChI=1S/C22H24N6O3/c1-13(2)31-21-16-12-28(22(30)26-18-11-23-8-6-14(18)3)9-7-17(16)25-20(27-21)15-4-5-19(29)24-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,24,29)(H,26,30)
InChIKeyOZPKKWAMISLUDC-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.91
Rot. Bonds4

About N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71450432) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71450432
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3ccc(=O)[nH]c3)nc(OC(C)C)c2C1
InChIInChI=1S/C22H24N6O3/c1-13(2)31-21-16-12-28(22(30)26-18-11-23-8-6-14(18)3)9-7-17(16)25-20(27-21)15-4-5-19(29)24-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,24,29)(H,26,30)
InChIKeyOZPKKWAMISLUDC-UHFFFAOYSA-N
XLogP2.91
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71450432) is N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccncc1NC(=O)N1CCc2nc(-c3ccc(=O)[nH]c3)nc(OC(C)C)c2C1.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is OZPKKWAMISLUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13(2)31-21-16-12-28(22(30)26-18-11-23-8-6-14(18)3)9-7-17(16)25-20(27-21)15-4-5-19(29)24-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,24,29)(H,26,30).
What are the key properties of N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71450432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).