4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide

C31H33N7O4 — CID 129276136

IUPAC4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCN(Cc3ccc(C(=O)NO)cc3)C4)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C31H33N7O4/c1-18-24-15-32-31(35-28(24)38(23-5-3-4-6-23)30(41)27(18)19(2)39)34-26-12-11-22-17-37(14-13-25(22)33-26)16-20-7-9-21(10-8-20)29(40)36-42/h7-12,15,23,42H,3-6,13-14,16-17H2,1-2H3,(H,36,40)(H,32,33,34,35)
InChIKeyGLOGDVLZFNOIMZ-UHFFFAOYSA-N
MW567.65 g/mol
LogP4.23
Rot. Bonds7

About 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide

4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide (PubChem CID 129276136) has the molecular formula C31H33N7O4 and a molecular weight of 567.65 g/mol. Its IUPAC name is 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide
PubChem CID129276136
Molecular FormulaC31H33N7O4
Molecular Weight567.65 g/mol
Exact Mass567.26
IUPAC Name4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide
SMILESCC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCN(Cc3ccc(C(=O)NO)cc3)C4)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C31H33N7O4/c1-18-24-15-32-31(35-28(24)38(23-5-3-4-6-23)30(41)27(18)19(2)39)34-26-12-11-22-17-37(14-13-25(22)33-26)16-20-7-9-21(10-8-20)29(40)36-42/h7-12,15,23,42H,3-6,13-14,16-17H2,1-2H3,(H,36,40)(H,32,33,34,35)
InChIKeyGLOGDVLZFNOIMZ-UHFFFAOYSA-N
XLogP4.23
TPSA142.34 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.65
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide (CID 129276136) is 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide is CC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCN(Cc3ccc(C(=O)NO)cc3)C4)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide?
The InChIKey is GLOGDVLZFNOIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O4/c1-18-24-15-32-31(35-28(24)38(23-5-3-4-6-23)30(41)27(18)19(2)39)34-26-12-11-22-17-37(14-13-25(22)33-26)16-20-7-9-21(10-8-20)29(40)36-42/h7-12,15,23,42H,3-6,13-14,16-17H2,1-2H3,(H,36,40)(H,32,33,34,35).
What are the key properties of 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide?
4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide has a molecular weight of 567.65 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 129276136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).