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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Related Compounds

CID 127728
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CID 11620871
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CID 118180165
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CID 1483244
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CID 464525
CID 464525
CID 464563
CID 464563
CID 2341879
CID 2341879
CID 3609289
CID 3609289
CID 15988226
CID 15988226
CID 16047262
CID 16047262
CID 16066811
CID 16066811
CID 16662634
CID 16662634

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).