5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide

C16H16N4O — CID 63117840

IUPAC5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(N)ccc2[nH]1)c1ccccn1
InChIInChI=1S/C16H16N4O/c1-10(13-4-2-3-7-18-13)19-16(21)15-9-11-8-12(17)5-6-14(11)20-15/h2-10,20H,17H2,1H3,(H,19,21)
InChIKeySDYHHOBXGGBAED-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.64
Rot. Bonds3

About 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide

5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide (PubChem CID 63117840) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
PubChem CID63117840
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(N)ccc2[nH]1)c1ccccn1
InChIInChI=1S/C16H16N4O/c1-10(13-4-2-3-7-18-13)19-16(21)15-9-11-8-12(17)5-6-14(11)20-15/h2-10,20H,17H2,1H3,(H,19,21)
InChIKeySDYHHOBXGGBAED-UHFFFAOYSA-N
XLogP2.64
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 42947302
5-amino-N-(1-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61094816
4,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 38432063
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 63117766
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
5-amino-N-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide
CID 79041889
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 103106426

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide (CID 63117840) is 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(N)ccc2[nH]1)c1ccccn1.
What is the InChIKey of 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is SDYHHOBXGGBAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10(13-4-2-3-7-18-13)19-16(21)15-9-11-8-12(17)5-6-14(11)20-15/h2-10,20H,17H2,1H3,(H,19,21).
What are the key properties of 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).