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

C22H24N6O2 — CID 71461280

IUPACN-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3cccnc3)nc(OC(C)C)c2C1
InChIInChI=1S/C22H24N6O2/c1-14(2)30-21-17-13-28(22(29)26-19-12-24-9-6-15(19)3)10-7-18(17)25-20(27-21)16-5-4-8-23-11-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,26,29)
InChIKeyWJWQAGGWQPZIHU-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.62
Rot. Bonds4

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

N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71461280) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71461280
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3cccnc3)nc(OC(C)C)c2C1
InChIInChI=1S/C22H24N6O2/c1-14(2)30-21-17-13-28(22(29)26-19-12-24-9-6-15(19)3)10-7-18(17)25-20(27-21)16-5-4-8-23-11-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,26,29)
InChIKeyWJWQAGGWQPZIHU-UHFFFAOYSA-N
XLogP3.62
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71461280) is N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccncc1NC(=O)N1CCc2nc(-c3cccnc3)nc(OC(C)C)c2C1.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is WJWQAGGWQPZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14(2)30-21-17-13-28(22(29)26-19-12-24-9-6-15(19)3)10-7-18(17)25-20(27-21)16-5-4-8-23-11-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,26,29).
What are the key properties of N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71461280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).