N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C19H19N5O2 — CID 47084127

IUPACN-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c(=O)n(CC(=O)N(CCC#N)Cc2cccnc2)c2ccccc21
InChIInChI=1S/C19H19N5O2/c1-22-16-7-2-3-8-17(16)24(19(22)26)14-18(25)23(11-5-9-20)13-15-6-4-10-21-12-15/h2-4,6-8,10,12H,5,11,13-14H2,1H3
InChIKeyFKEFAYLPZKEZTF-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.68
Rot. Bonds6

About N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 47084127) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID47084127
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c(=O)n(CC(=O)N(CCC#N)Cc2cccnc2)c2ccccc21
InChIInChI=1S/C19H19N5O2/c1-22-16-7-2-3-8-17(16)24(19(22)26)14-18(25)23(11-5-9-20)13-15-6-4-10-21-12-15/h2-4,6-8,10,12H,5,11,13-14H2,1H3
InChIKeyFKEFAYLPZKEZTF-UHFFFAOYSA-N
XLogP1.68
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 99161117
N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 86864871
N-(2-cyanoethyl)-3-phenothiazin-10-yl-N-(pyridin-3-ylmethyl)propanamide
CID 134013361
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
2-(1-aminocyclobutyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 79852125
4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
CID 103154249
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 78803583
N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 53474011
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61183826
(2S)-2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 79024967
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 60592086

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 47084127) is N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is Cn1c(=O)n(CC(=O)N(CCC#N)Cc2cccnc2)c2ccccc21.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is FKEFAYLPZKEZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-22-16-7-2-3-8-17(16)24(19(22)26)14-18(25)23(11-5-9-20)13-15-6-4-10-21-12-15/h2-4,6-8,10,12H,5,11,13-14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 47084127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).