methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate

C24H27N5O3 — CID 67490286

IUPACmethyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate
SMILESC=C1c2cnccc2N=CN1C(CC1CCCCC1)C(=O)Nc1ccc(C(=O)OC)cn1
InChIInChI=1S/C24H27N5O3/c1-16-19-14-25-11-10-20(19)27-15-29(16)21(12-17-6-4-3-5-7-17)23(30)28-22-9-8-18(13-26-22)24(31)32-2/h8-11,13-15,17,21H,1,3-7,12H2,2H3,(H,26,28,30)
InChIKeyKOXSFZVVECFPFJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.19
Rot. Bonds6

About methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate

methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate (PubChem CID 67490286) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate
PubChem CID67490286
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Namemethyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate
SMILESC=C1c2cnccc2N=CN1C(CC1CCCCC1)C(=O)Nc1ccc(C(=O)OC)cn1
InChIInChI=1S/C24H27N5O3/c1-16-19-14-25-11-10-20(19)27-15-29(16)21(12-17-6-4-3-5-7-17)23(30)28-22-9-8-18(13-26-22)24(31)32-2/h8-11,13-15,17,21H,1,3-7,12H2,2H3,(H,26,28,30)
InChIKeyKOXSFZVVECFPFJ-UHFFFAOYSA-N
XLogP4.19
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate (CID 67490286) is methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate is C=C1c2cnccc2N=CN1C(CC1CCCCC1)C(=O)Nc1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate?
The InChIKey is KOXSFZVVECFPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-19-14-25-11-10-20(19)27-15-29(16)21(12-17-6-4-3-5-7-17)23(30)28-22-9-8-18(13-26-22)24(31)32-2/h8-11,13-15,17,21H,1,3-7,12H2,2H3,(H,26,28,30).
What are the key properties of methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate?
methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-cyclohexyl-2-(4-methylidenepyrido[4,3-d]pyrimidin-3-yl)propanoyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 67490286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).