1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

C21H27N5O — CID 92565033

IUPAC1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1nc2c(c(N3CCC(C(N)=O)CC3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H27N5O/c1-15-23-19-14-25(13-16-5-3-2-4-6-16)10-9-18(19)21(24-15)26-11-7-17(8-12-26)20(22)27/h2-6,17H,7-14H2,1H3,(H2,22,27)
InChIKeyCVAAZSCVZDPSLU-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.05
Rot. Bonds4

About 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 92565033) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID92565033
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1nc2c(c(N3CCC(C(N)=O)CC3)n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C21H27N5O/c1-15-23-19-14-25(13-16-5-3-2-4-6-16)10-9-18(19)21(24-15)26-11-7-17(8-12-26)20(22)27/h2-6,17H,7-14H2,1H3,(H2,22,27)
InChIKeyCVAAZSCVZDPSLU-UHFFFAOYSA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 92565033) is 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1nc2c(c(N3CCC(C(N)=O)CC3)n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is CVAAZSCVZDPSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-23-19-14-25(13-16-5-3-2-4-6-16)10-9-18(19)21(24-15)26-11-7-17(8-12-26)20(22)27/h2-6,17H,7-14H2,1H3,(H2,22,27).
What are the key properties of 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 92565033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).