[4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C22H32N6O — CID 53168111

IUPAC[4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2c(N(C)C)nc(C(=O)N3CCC(N4CCCCC4)CC3)nc2n1
InChIInChI=1S/C22H32N6O/c1-15-14-16(2)23-19-18(15)21(26(3)4)25-20(24-19)22(29)28-12-8-17(9-13-28)27-10-6-5-7-11-27/h14,17H,5-13H2,1-4H3
InChIKeyKIOROPFZEQEKFH-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.80
Rot. Bonds3

About [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 53168111) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID53168111
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name[4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2c(N(C)C)nc(C(=O)N3CCC(N4CCCCC4)CC3)nc2n1
InChIInChI=1S/C22H32N6O/c1-15-14-16(2)23-19-18(15)21(26(3)4)25-20(24-19)22(29)28-12-8-17(9-13-28)27-10-6-5-7-11-27/h14,17H,5-13H2,1-4H3
InChIKeyKIOROPFZEQEKFH-UHFFFAOYSA-N
XLogP2.80
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 53168262
4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168150
(4-pyrrolidin-1-ylpiperidin-1-yl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 75461979
(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
CID 53168237
(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46291536
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53168181
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 53168111) is [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1cc(C)c2c(N(C)C)nc(C(=O)N3CCC(N4CCCCC4)CC3)nc2n1.
What is the InChIKey of [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is KIOROPFZEQEKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-15-14-16(2)23-19-18(15)21(26(3)4)25-20(24-19)22(29)28-12-8-17(9-13-28)27-10-6-5-7-11-27/h14,17H,5-13H2,1-4H3.
What are the key properties of [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 396.54 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 53168111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).