N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide

C17H18N4O2 — CID 56909103

IUPACN-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccc2cc[nH]c2n1
InChIInChI=1S/C17H18N4O2/c1-11-3-5-14(23-2)13(9-11)20-16(22)10-19-15-6-4-12-7-8-18-17(12)21-15/h3-9H,10H2,1-2H3,(H,20,22)(H2,18,19,21)
InChIKeyAPNRRYNZOYRBPE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.93
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide

N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide (PubChem CID 56909103) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide
PubChem CID56909103
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1ccc2cc[nH]c2n1
InChIInChI=1S/C17H18N4O2/c1-11-3-5-14(23-2)13(9-11)20-16(22)10-19-15-6-4-12-7-8-18-17(12)21-15/h3-9H,10H2,1-2H3,(H,20,22)(H2,18,19,21)
InChIKeyAPNRRYNZOYRBPE-UHFFFAOYSA-N
XLogP2.93
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26506643
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
N-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 37471423
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
N-(2-methoxy-5-methylphenyl)-2-(4-oxo-5H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395627

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide (CID 56909103) is N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide is COc1ccc(C)cc1NC(=O)CNc1ccc2cc[nH]c2n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide?
The InChIKey is APNRRYNZOYRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-3-5-14(23-2)13(9-11)20-16(22)10-19-15-6-4-12-7-8-18-17(12)21-15/h3-9H,10H2,1-2H3,(H,20,22)(H2,18,19,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)acetamide is sourced from PubChem (CID 56909103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).