4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C37H47N5O4 — CID 87055220

IUPAC4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3ccccc3Oc3ccc(C(=O)N(CCCN(C)C)C4CCCCC4)c(C)c3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C37H47N5O4/c1-7-38-35(43)31-22-29-30(23-41(6)37(45)34(29)39-31)28-16-11-12-17-33(28)46-32-19-18-27(24(2)25(32)3)36(44)42(21-13-20-40(4)5)26-14-9-8-10-15-26/h11-12,16-19,22-23,26,39H,7-10,13-15,20-21H2,1-6H3,(H,38,43)
InChIKeyMOAWSAIKOIKDOJ-UHFFFAOYSA-N
MW625.81 g/mol
LogP6.42
Rot. Bonds11

About 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 87055220) has the molecular formula C37H47N5O4 and a molecular weight of 625.81 g/mol. Its IUPAC name is 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID87055220
Molecular FormulaC37H47N5O4
Molecular Weight625.81 g/mol
Exact Mass625.36
IUPAC Name4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3ccccc3Oc3ccc(C(=O)N(CCCN(C)C)C4CCCCC4)c(C)c3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C37H47N5O4/c1-7-38-35(43)31-22-29-30(23-41(6)37(45)34(29)39-31)28-16-11-12-17-33(28)46-32-19-18-27(24(2)25(32)3)36(44)42(21-13-20-40(4)5)26-14-9-8-10-15-26/h11-12,16-19,22-23,26,39H,7-10,13-15,20-21H2,1-6H3,(H,38,43)
InChIKeyMOAWSAIKOIKDOJ-UHFFFAOYSA-N
XLogP6.42
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.81
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 87055220) is 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3ccccc3Oc3ccc(C(=O)N(CCCN(C)C)C4CCCCC4)c(C)c3C)cn(C)c(=O)c2[nH]1.
What is the InChIKey of 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is MOAWSAIKOIKDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N5O4/c1-7-38-35(43)31-22-29-30(23-41(6)37(45)34(29)39-31)28-16-11-12-17-33(28)46-32-19-18-27(24(2)25(32)3)36(44)42(21-13-20-40(4)5)26-14-9-8-10-15-26/h11-12,16-19,22-23,26,39H,7-10,13-15,20-21H2,1-6H3,(H,38,43).
What are the key properties of 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 625.81 g/mol, XLogP of 6.42, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[cyclohexyl-[3-(dimethylamino)propyl]carbamoyl]-2,3-dimethylphenoxy]phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 87055220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).