3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide

C23H34N6O3 — CID 92629189

IUPAC3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide
SMILESCc1nc(C2CCN(C(=O)[C@H]3CCCN(CCC(N)=O)C3)CC2)nc2c1CCC(=O)N2C
InChIInChI=1S/C23H34N6O3/c1-15-18-5-6-20(31)27(2)22(18)26-21(25-15)16-7-12-29(13-8-16)23(32)17-4-3-10-28(14-17)11-9-19(24)30/h16-17H,3-14H2,1-2H3,(H2,24,30)/t17-/m0/s1
InChIKeyFHKIZHYPAMGQCI-KRWDZBQOSA-N
MW442.56 g/mol
LogP0.99
Rot. Bonds5

About 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide

3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide (PubChem CID 92629189) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide
PubChem CID92629189
Molecular FormulaC23H34N6O3
Molecular Weight442.56 g/mol
Exact Mass442.27
IUPAC Name3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide
SMILESCc1nc(C2CCN(C(=O)[C@H]3CCCN(CCC(N)=O)C3)CC2)nc2c1CCC(=O)N2C
InChIInChI=1S/C23H34N6O3/c1-15-18-5-6-20(31)27(2)22(18)26-21(25-15)16-7-12-29(13-8-16)23(32)17-4-3-10-28(14-17)11-9-19(24)30/h16-17H,3-14H2,1-2H3,(H2,24,30)/t17-/m0/s1
InChIKeyFHKIZHYPAMGQCI-KRWDZBQOSA-N
XLogP0.99
TPSA112.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,8-dimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261162
3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide
CID 92630139
8-cyclopentyl-4-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261169
4,8-dimethyl-2-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618825
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
2-[1-(4-fluorobenzoyl)piperidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268450
2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125001382
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261025
4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 118741766
4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629168
8-benzyl-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249324
4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261064

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide?
The IUPAC name of 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide (CID 92629189) is 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide?
The canonical SMILES for 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide is Cc1nc(C2CCN(C(=O)[C@H]3CCCN(CCC(N)=O)C3)CC2)nc2c1CCC(=O)N2C.
What is the InChIKey of 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide?
The InChIKey is FHKIZHYPAMGQCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H34N6O3/c1-15-18-5-6-20(31)27(2)22(18)26-21(25-15)16-7-12-29(13-8-16)23(32)17-4-3-10-28(14-17)11-9-19(24)30/h16-17H,3-14H2,1-2H3,(H2,24,30)/t17-/m0/s1.
What are the key properties of 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide?
3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide has a molecular weight of 442.56 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 92629189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).