N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C35H37N5O5 — CID 155431223

IUPACN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12
InChIInChI=1S/C35H37N5O5/c1-20(2)45-30-15-14-23(35(3,4)44)16-24(30)26-19-40(5)34(43)31-25(26)17-29(38-31)33(42)37-18-21-10-12-22(13-11-21)32(41)39-28-9-7-6-8-27(28)36/h6-17,19-20,38,44H,18,36H2,1-5H3,(H,37,42)(H,39,41)
InChIKeySFYLADBQGNFSOV-UHFFFAOYSA-N
MW607.71 g/mol
LogP5.31
Rot. Bonds9

About N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431223) has the molecular formula C35H37N5O5 and a molecular weight of 607.71 g/mol. Its IUPAC name is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431223
Molecular FormulaC35H37N5O5
Molecular Weight607.71 g/mol
Exact Mass607.28
IUPAC NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12
InChIInChI=1S/C35H37N5O5/c1-20(2)45-30-15-14-23(35(3,4)44)16-24(30)26-19-40(5)34(43)31-25(26)17-29(38-31)33(42)37-18-21-10-12-22(13-11-21)32(41)39-28-9-7-6-8-27(28)36/h6-17,19-20,38,44H,18,36H2,1-5H3,(H,37,42)(H,39,41)
InChIKeySFYLADBQGNFSOV-UHFFFAOYSA-N
XLogP5.31
TPSA151.47 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.71
LogP ≤ 55.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431223) is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CC(C)Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc12.
What is the InChIKey of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SFYLADBQGNFSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N5O5/c1-20(2)45-30-15-14-23(35(3,4)44)16-24(30)26-19-40(5)34(43)31-25(26)17-29(38-31)33(42)37-18-21-10-12-22(13-11-21)32(41)39-28-9-7-6-8-27(28)36/h6-17,19-20,38,44H,18,36H2,1-5H3,(H,37,42)(H,39,41).
What are the key properties of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 607.71 g/mol, XLogP of 5.31, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).