N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide

C19H20N6O — CID 138020357

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
SMILESCc1cnc2c(cnn2CC(=O)N(C)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H20N6O/c1-13-9-14-11-21-25(19(14)20-10-13)12-18(26)24(2)8-7-17-22-15-5-3-4-6-16(15)23-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,23)
InChIKeyJMKCHBFIRMPWPK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide (PubChem CID 138020357) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
PubChem CID138020357
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide
SMILESCc1cnc2c(cnn2CC(=O)N(C)CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H20N6O/c1-13-9-14-11-21-25(19(14)20-10-13)12-18(26)24(2)8-7-17-22-15-5-3-4-6-16(15)23-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,23)
InChIKeyJMKCHBFIRMPWPK-UHFFFAOYSA-N
XLogP2.32
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
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3-(1H-benzimidazol-2-yl)-1-(7-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)propan-1-one
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N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
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3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 91829450
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide (CID 138020357) is N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide is Cc1cnc2c(cnn2CC(=O)N(C)CCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
The InChIKey is JMKCHBFIRMPWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-9-14-11-21-25(19(14)20-10-13)12-18(26)24(2)8-7-17-22-15-5-3-4-6-16(15)23-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 138020357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).