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

C21H27N5O — CID 110219431

IUPAC1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc2c(c(N3CCCC(C(N)=O)C3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H27N5O/c1-15-23-19-9-11-25(12-16-6-3-2-4-7-16)14-18(19)21(24-15)26-10-5-8-17(13-26)20(22)27/h2-4,6-7,17H,5,8-14H2,1H3,(H2,22,27)
InChIKeyMXUNOZMOQVOFBO-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.05
Rot. Bonds4

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

1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 110219431) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID110219431
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc2c(c(N3CCCC(C(N)=O)C3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H27N5O/c1-15-23-19-9-11-25(12-16-6-3-2-4-7-16)14-18(19)21(24-15)26-10-5-8-17(13-26)20(22)27/h2-4,6-7,17H,5,8-14H2,1H3,(H2,22,27)
InChIKeyMXUNOZMOQVOFBO-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

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

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Related Compounds

1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46959523
(3R)-1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 92565044
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 92565033
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
1-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylethanone
CID 42786598
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
4-(4-benzyl-1,4-diazepan-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 71858582
4-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)phenol
CID 137299237
(3R)-1-[3-[(2-fluorophenyl)methyl]-5-methyltriazolo[4,5-d]pyrimidin-7-yl]piperidine-3-carboxamide
CID 1448108
(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone
CID 133461027
1-(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136925266
(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(4-phenylphenyl)methanone
CID 7264631

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 110219431) is 1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1nc2c(c(N3CCCC(C(N)=O)C3)n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is MXUNOZMOQVOFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-23-19-9-11-25(12-16-6-3-2-4-7-16)14-18(19)21(24-15)26-10-5-8-17(13-26)20(22)27/h2-4,6-7,17H,5,8-14H2,1H3,(H2,22,27).
What are the key properties of 1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-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-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 110219431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).