3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C17H26N4O2 — CID 128973013

IUPAC3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC1CCC(CNC(=O)N2CCc3c(ncn(C)c3=O)C2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-3-5-13(6-4-12)9-18-17(23)21-8-7-14-15(10-21)19-11-20(2)16(14)22/h11-13H,3-10H2,1-2H3,(H,18,23)
InChIKeyYUXWTAHKVYEEEZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.67
Rot. Bonds2

About 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 128973013) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID128973013
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCC1CCC(CNC(=O)N2CCc3c(ncn(C)c3=O)C2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-3-5-13(6-4-12)9-18-17(23)21-8-7-14-15(10-21)19-11-20(2)16(14)22/h11-13H,3-10H2,1-2H3,(H,18,23)
InChIKeyYUXWTAHKVYEEEZ-UHFFFAOYSA-N
XLogP1.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 128973013) is 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CC1CCC(CNC(=O)N2CCc3c(ncn(C)c3=O)C2)CC1.
What is the InChIKey of 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is YUXWTAHKVYEEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-3-5-13(6-4-12)9-18-17(23)21-8-7-14-15(10-21)19-11-20(2)16(14)22/h11-13H,3-10H2,1-2H3,(H,18,23).
What are the key properties of 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylcyclohexyl)methyl]-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 128973013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).