2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide

C21H18N6O — CID 56866317

IUPAC2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide
SMILESCc1c(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c2ccccc2n1CC(N)=O
InChIInChI=1S/C21H18N6O/c1-12-20(13-5-2-3-7-18(13)27(12)11-19(23)28)14-9-17(16-6-4-8-25-16)26-21(24)15(14)10-22/h2-9,25H,11H2,1H3,(H2,23,28)(H2,24,26)
InChIKeySXHROCAFGGRELE-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.95
Rot. Bonds4

About 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide

2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide (PubChem CID 56866317) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide
PubChem CID56866317
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide
SMILESCc1c(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c2ccccc2n1CC(N)=O
InChIInChI=1S/C21H18N6O/c1-12-20(13-5-2-3-7-18(13)27(12)11-19(23)28)14-9-17(16-6-4-8-25-16)26-21(24)15(14)10-22/h2-9,25H,11H2,1H3,(H2,23,28)(H2,24,26)
InChIKeySXHROCAFGGRELE-UHFFFAOYSA-N
XLogP2.95
TPSA126.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56865030
2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56864470
2-(3-cyano-2-methylindol-1-yl)acetate
CID 6957155
2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56863641
2-amino-4-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56867360
2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 5209410
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
CID 54594673
2-(3-cyano-2-methylindol-1-yl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 95203720
2-(1H-pyrrol-2-yl)quinoline-4-carboxamide
CID 175947140
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 3339409
2-amino-4-[(1S)-cyclohex-3-en-1-yl]-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 95552721
(2S)-2-[3-[6-amino-5-cyano-4-(4-hydroxyphenyl)-2-pyridinyl]indol-1-yl]propanoic acid
CID 136858399

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide?
The IUPAC name of 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide (CID 56866317) is 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide?
The canonical SMILES for 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide is Cc1c(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c2ccccc2n1CC(N)=O.
What is the InChIKey of 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide?
The InChIKey is SXHROCAFGGRELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-12-20(13-5-2-3-7-18(13)27(12)11-19(23)28)14-9-17(16-6-4-8-25-16)26-21(24)15(14)10-22/h2-9,25H,11H2,1H3,(H2,23,28)(H2,24,26).
What are the key properties of 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide?
2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide has a molecular weight of 370.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide is sourced from PubChem (CID 56866317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).