6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide

C22H22N6O2 — CID 134809619

IUPAC6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2cc3c(ccn3C)c(C(=O)NCCc3cnc[nH]3)n2)c1
InChIInChI=1S/C22H22N6O2/c1-14(29)26-16-5-3-4-15(10-16)19-11-20-18(7-9-28(20)2)21(27-19)22(30)24-8-6-17-12-23-13-25-17/h3-5,7,9-13H,6,8H2,1-2H3,(H,23,25)(H,24,30)(H,26,29)
InChIKeyOTVJQLLLECGLRU-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.89
Rot. Bonds6

About 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide

6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide (PubChem CID 134809619) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
PubChem CID134809619
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2cc3c(ccn3C)c(C(=O)NCCc3cnc[nH]3)n2)c1
InChIInChI=1S/C22H22N6O2/c1-14(29)26-16-5-3-4-15(10-16)19-11-20-18(7-9-28(20)2)21(27-19)22(30)24-8-6-17-12-23-13-25-17/h3-5,7,9-13H,6,8H2,1-2H3,(H,23,25)(H,24,30)(H,26,29)
InChIKeyOTVJQLLLECGLRU-UHFFFAOYSA-N
XLogP2.89
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134806937
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 65231356
6-(4-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807730
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609933
7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19590027
N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 10364570
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-(1H-imidazol-5-yl)-2-iminopropanamide
CID 176686975
3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666440
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
N-[2-(6-fluoro-1-methylindol-3-yl)ethyl]-2-(1H-imidazol-5-yl)acetamide
CID 166254376

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide (CID 134809619) is 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide is CC(=O)Nc1cccc(-c2cc3c(ccn3C)c(C(=O)NCCc3cnc[nH]3)n2)c1.
What is the InChIKey of 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide?
The InChIKey is OTVJQLLLECGLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14(29)26-16-5-3-4-15(10-16)19-11-20-18(7-9-28(20)2)21(27-19)22(30)24-8-6-17-12-23-13-25-17/h3-5,7,9-13H,6,8H2,1-2H3,(H,23,25)(H,24,30)(H,26,29).
What are the key properties of 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide?
6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 134809619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).