N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide

C24H27N5O3 — CID 25016226

IUPACN-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C24H27N5O3/c1-14-3-4-15(22(30)26-17-5-6-17)11-19(14)20-12-16-13-25-24(27-18-7-9-32-10-8-18)28-21(16)29(2)23(20)31/h3-4,11-13,17-18H,5-10H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyHYTAHRCKAXESOF-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.79
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide

N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide (PubChem CID 25016226) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide
PubChem CID25016226
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C24H27N5O3/c1-14-3-4-15(22(30)26-17-5-6-17)11-19(14)20-12-16-13-25-24(27-18-7-9-32-10-8-18)28-21(16)29(2)23(20)31/h3-4,11-13,17-18H,5-10H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyHYTAHRCKAXESOF-UHFFFAOYSA-N
XLogP2.79
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide (CID 25016226) is N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide?
The InChIKey is HYTAHRCKAXESOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-14-3-4-15(22(30)26-17-5-6-17)11-19(14)20-12-16-13-25-24(27-18-7-9-32-10-8-18)28-21(16)29(2)23(20)31/h3-4,11-13,17-18H,5-10H2,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide?
N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide has a molecular weight of 433.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 25016226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).