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

C23H26N6O2 — CID 71461214

IUPACN-(4-methyl-3-pyridinyl)-2-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc3c(c(OC(C)C)n2)CN(C(=O)Nc2cnccc2C)CC3)cn1
InChIInChI=1S/C23H26N6O2/c1-14(2)31-22-18-13-29(23(30)27-20-12-24-9-7-15(20)3)10-8-19(18)26-21(28-22)17-6-5-16(4)25-11-17/h5-7,9,11-12,14H,8,10,13H2,1-4H3,(H,27,30)
InChIKeyWMHQPGQJBLGVAY-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.93
Rot. Bonds4

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

N-(4-methyl-3-pyridinyl)-2-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71461214) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-2-(6-methyl-3-pyridinyl)-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-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71461214
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-(4-methyl-3-pyridinyl)-2-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc3c(c(OC(C)C)n2)CN(C(=O)Nc2cnccc2C)CC3)cn1
InChIInChI=1S/C23H26N6O2/c1-14(2)31-22-18-13-29(23(30)27-20-12-24-9-7-15(20)3)10-8-19(18)26-21(28-22)17-6-5-16(4)25-11-17/h5-7,9,11-12,14H,8,10,13H2,1-4H3,(H,27,30)
InChIKeyWMHQPGQJBLGVAY-UHFFFAOYSA-N
XLogP3.93
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.93
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)-2-(6-methyl-3-pyridinyl)-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-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71461214) is N-(4-methyl-3-pyridinyl)-2-(6-methyl-3-pyridinyl)-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-methyl-3-pyridinyl)-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-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccc(-c2nc3c(c(OC(C)C)n2)CN(C(=O)Nc2cnccc2C)CC3)cn1.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-2-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is WMHQPGQJBLGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14(2)31-22-18-13-29(23(30)27-20-12-24-9-7-15(20)3)10-8-19(18)26-21(28-22)17-6-5-16(4)25-11-17/h5-7,9,11-12,14H,8,10,13H2,1-4H3,(H,27,30).
What are the key properties of N-(4-methyl-3-pyridinyl)-2-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(4-methyl-3-pyridinyl)-2-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.93, 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)-2-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71461214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).