propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate

C25H25N5O6 — CID 4684432

IUPACpropan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OC(C)C)n3)n2)n1
InChIInChI=1S/C25H25N5O6/c1-14(2)35-24(33)18-10-5-8-16(26-18)22(31)29-20-12-7-13-21(28-20)30-23(32)17-9-6-11-19(27-17)25(34)36-15(3)4/h5-15H,1-4H3,(H2,28,29,30,31,32)
InChIKeyMHUZPAPGPYSZTB-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.51
Rot. Bonds8

About propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate

propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate (PubChem CID 4684432) has the molecular formula C25H25N5O6 and a molecular weight of 491.50 g/mol. Its IUPAC name is propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
PubChem CID4684432
Molecular FormulaC25H25N5O6
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC Namepropan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OC(C)C)n3)n2)n1
InChIInChI=1S/C25H25N5O6/c1-14(2)35-24(33)18-10-5-8-16(26-18)22(31)29-20-12-7-13-21(28-20)30-23(32)17-9-6-11-19(27-17)25(34)36-15(3)4/h5-15H,1-4H3,(H2,28,29,30,31,32)
InChIKeyMHUZPAPGPYSZTB-UHFFFAOYSA-N
XLogP3.51
TPSA149.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate with MolForge

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Related Compounds

CID 89487516
CID 89487516
CID 3235826
CID 3235826
CID 44397761
CID 44397761
CID 89487801
CID 89487801
CID 44397548
CID 44397548
CID 44397940
CID 44397940
CID 66545194
CID 66545194
CID 5023417
CID 5023417
CID 118705751
CID 118705751
CID 137634242
CID 137634242
CID 137644219
CID 137644219
CID 3969909
CID 3969909

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate (CID 4684432) is propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate is CC(C)OC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OC(C)C)n3)n2)n1.
What is the InChIKey of propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The InChIKey is MHUZPAPGPYSZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O6/c1-14(2)35-24(33)18-10-5-8-16(26-18)22(31)29-20-12-7-13-21(28-20)30-23(32)17-9-6-11-19(27-17)25(34)36-15(3)4/h5-15H,1-4H3,(H2,28,29,30,31,32).
What are the key properties of propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate has a molecular weight of 491.50 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[[6-[(6-propan-2-yloxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 4684432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).