2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C23H29N5O3 — CID 92629984

IUPAC2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)C(=O)CC2
InChIInChI=1S/C23H29N5O3/c1-16-18-9-10-20(29)28(15-17-7-3-5-12-24-17)23(18)26-22(25-16)19-8-4-6-13-27(19)21(30)11-14-31-2/h3,5,7,12,19H,4,6,8-11,13-15H2,1-2H3/t19-/m0/s1
InChIKeyKDMZBUWGYVKVDZ-IBGZPJMESA-N
MW423.52 g/mol
LogP2.75
Rot. Bonds6

About 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629984) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629984
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)C(=O)CC2
InChIInChI=1S/C23H29N5O3/c1-16-18-9-10-20(29)28(15-17-7-3-5-12-24-17)23(18)26-22(25-16)19-8-4-6-13-27(19)21(30)11-14-31-2/h3,5,7,12,19H,4,6,8-11,13-15H2,1-2H3/t19-/m0/s1
InChIKeyKDMZBUWGYVKVDZ-IBGZPJMESA-N
XLogP2.75
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629984) is 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)C(=O)CC2.
What is the InChIKey of 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KDMZBUWGYVKVDZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29N5O3/c1-16-18-9-10-20(29)28(15-17-7-3-5-12-24-17)23(18)26-22(25-16)19-8-4-6-13-27(19)21(30)11-14-31-2/h3,5,7,12,19H,4,6,8-11,13-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 423.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).