1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide

C19H21N5O — CID 156583563

IUPAC1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCN1CCc2ccc(C(=O)NCCc3nc4ccccc4n3C)nc21
InChIInChI=1S/C19H21N5O/c1-23-12-10-13-7-8-15(22-18(13)23)19(25)20-11-9-17-21-14-5-3-4-6-16(14)24(17)2/h3-8H,9-12H2,1-2H3,(H,20,25)
InChIKeyNDFUSWZGVDJPBH-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.93
Rot. Bonds4

About 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide

1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 156583563) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID156583563
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCN1CCc2ccc(C(=O)NCCc3nc4ccccc4n3C)nc21
InChIInChI=1S/C19H21N5O/c1-23-12-10-13-7-8-15(22-18(13)23)19(25)20-11-9-17-21-14-5-3-4-6-16(14)24(17)2/h3-8H,9-12H2,1-2H3,(H,20,25)
InChIKeyNDFUSWZGVDJPBH-UHFFFAOYSA-N
XLogP1.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylbenzimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53193500
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 135963099
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 75490455
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 46971081
methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
CID 71279102
3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 56790573
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95707440
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide
CID 42479573

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide (CID 156583563) is 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide is CN1CCc2ccc(C(=O)NCCc3nc4ccccc4n3C)nc21.
What is the InChIKey of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is NDFUSWZGVDJPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-12-10-13-7-8-15(22-18(13)23)19(25)20-11-9-17-21-14-5-3-4-6-16(14)24(17)2/h3-8H,9-12H2,1-2H3,(H,20,25).
What are the key properties of 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 156583563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).