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

C22H32N6O2 — CID 53168197

IUPAC5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCCCC3)nc(C(=O)NCCCN3CCOCC3)nc2n1
InChIInChI=1S/C22H32N6O2/c1-16-15-17(2)24-19-18(16)21(28-9-4-3-5-10-28)26-20(25-19)22(29)23-7-6-8-27-11-13-30-14-12-27/h15H,3-14H2,1-2H3,(H,23,29)
InChIKeyPLKXXIWLGYBXGZ-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.08
Rot. Bonds6

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

5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 53168197) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
PubChem CID53168197
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCCCC3)nc(C(=O)NCCCN3CCOCC3)nc2n1
InChIInChI=1S/C22H32N6O2/c1-16-15-17(2)24-19-18(16)21(28-9-4-3-5-10-28)26-20(25-19)22(29)23-7-6-8-27-11-13-30-14-12-27/h15H,3-14H2,1-2H3,(H,23,29)
InChIKeyPLKXXIWLGYBXGZ-UHFFFAOYSA-N
XLogP2.08
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
5,7-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837939
4-(dimethylamino)-5,7-dimethyl-N-(3-piperidin-1-ylpropyl)pyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168150
N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837960
(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 71837946
5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168227
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 71688945

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide (CID 53168197) is 5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide is Cc1cc(C)c2c(N3CCCCC3)nc(C(=O)NCCCN3CCOCC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is PLKXXIWLGYBXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-16-15-17(2)24-19-18(16)21(28-9-4-3-5-10-28)26-20(25-19)22(29)23-7-6-8-27-11-13-30-14-12-27/h15H,3-14H2,1-2H3,(H,23,29).
What are the key properties of 5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53168197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).