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

C24H32N6O — CID 46959523

IUPAC1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(N3CCCC3)nc3c2CN(Cc2ccccc2)CC3)C1
InChIInChI=1S/C24H32N6O/c25-22(31)19-9-6-13-30(16-19)23-20-17-28(15-18-7-2-1-3-8-18)14-10-21(20)26-24(27-23)29-11-4-5-12-29/h1-3,7-8,19H,4-6,9-17H2,(H2,25,31)
InChIKeyOMYCBRSHBSCTNR-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.34
Rot. Bonds5

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

1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 46959523) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID46959523
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(N3CCCC3)nc3c2CN(Cc2ccccc2)CC3)C1
InChIInChI=1S/C24H32N6O/c25-22(31)19-9-6-13-30(16-19)23-20-17-28(15-18-7-2-1-3-8-18)14-10-21(20)26-24(27-23)29-11-4-5-12-29/h1-3,7-8,19H,4-6,9-17H2,(H2,25,31)
InChIKeyOMYCBRSHBSCTNR-UHFFFAOYSA-N
XLogP2.34
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 110219431
(3R)-1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 92565044
6-benzyl-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46959524
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 92565033
1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 46072549
1-(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 136925266
4-[6-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42870493
(2-chlorophenyl)-(2-piperidin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42855739
6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46952503
4-[6-[(2-fluorophenyl)methyl]-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 46072118
2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63376854
(2-chlorophenyl)-[4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855695

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 46959523) is 1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2nc(N3CCCC3)nc3c2CN(Cc2ccccc2)CC3)C1.
What is the InChIKey of 1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is OMYCBRSHBSCTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c25-22(31)19-9-6-13-30(16-19)23-20-17-28(15-18-7-2-1-3-8-18)14-10-21(20)26-24(27-23)29-11-4-5-12-29/h1-3,7-8,19H,4-6,9-17H2,(H2,25,31).
What are the key properties of 1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46959523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).