4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide

C20H30N6O — CID 53168150

IUPAC4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N(C)C)nc(C(=O)NCCCN3CCCCC3)nc2n1
InChIInChI=1S/C20H30N6O/c1-14-13-15(2)22-17-16(14)19(25(3)4)24-18(23-17)20(27)21-9-8-12-26-10-6-5-7-11-26/h13H,5-12H2,1-4H3,(H,21,27)
InChIKeyHTHSNFHEUFMTDK-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.31
Rot. Bonds6

About 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide

4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 53168150) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide
PubChem CID53168150
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N(C)C)nc(C(=O)NCCCN3CCCCC3)nc2n1
InChIInChI=1S/C20H30N6O/c1-14-13-15(2)22-17-16(14)19(25(3)4)24-18(23-17)20(27)21-9-8-12-26-10-6-5-7-11-26/h13H,5-12H2,1-4H3,(H,21,27)
InChIKeyHTHSNFHEUFMTDK-UHFFFAOYSA-N
XLogP2.31
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168197
5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837973
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079749
5,7-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837939
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
5-amino-2-methyl-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61118452

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide (CID 53168150) is 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide is Cc1cc(C)c2c(N(C)C)nc(C(=O)NCCCN3CCCCC3)nc2n1.
What is the InChIKey of 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is HTHSNFHEUFMTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14-13-15(2)22-17-16(14)19(25(3)4)24-18(23-17)20(27)21-9-8-12-26-10-6-5-7-11-26/h13H,5-12H2,1-4H3,(H,21,27).
What are the key properties of 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide?
4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53168150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).