N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C21H27N5O — CID 42786923

IUPACN,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1
InChIInChI=1S/C21H27N5O/c1-24(2)21(27)26-14-11-18-17(15-26)20(25-12-7-4-8-13-25)23-19(22-18)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3
InChIKeyBWUWPTYCOTYNIC-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.17
Rot. Bonds2

About N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42786923) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42786923
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1
InChIInChI=1S/C21H27N5O/c1-24(2)21(27)26-14-11-18-17(15-26)20(25-12-7-4-8-13-25)23-19(22-18)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3
InChIKeyBWUWPTYCOTYNIC-UHFFFAOYSA-N
XLogP3.17
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

1-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
CID 7328890
morpholin-4-yl-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 3607547
N,N,2-trimethyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786611
(4-fluorophenyl)-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7360577
(4-tert-butylphenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786931
(4-bromophenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786935
1-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
CID 7495476
1-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)tetradecan-1-one
CID 4555647
2-(4-fluorophenyl)-1-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 7225721
2-phenyl-4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42666115
4-(azepan-1-yl)-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 4026439
(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 N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42786923) is N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)N1CCc2nc(-c3ccccc3)nc(N3CCCCC3)c2C1.
What is the InChIKey of N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is BWUWPTYCOTYNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24(2)21(27)26-14-11-18-17(15-26)20(25-12-7-4-8-13-25)23-19(22-18)16-9-5-3-6-10-16/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42786923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).