2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide

C16H16N4O — CID 19802660

IUPAC2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide
SMILESCn1cc(N(C(=O)CN)c2ccncc2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-19-11-15(13-4-2-3-5-14(13)19)20(16(21)10-17)12-6-8-18-9-7-12/h2-9,11H,10,17H2,1H3
InChIKeyFDEINKIVFLDJIA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide

2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide (PubChem CID 19802660) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide
PubChem CID19802660
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide
SMILESCn1cc(N(C(=O)CN)c2ccncc2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-19-11-15(13-4-2-3-5-14(13)19)20(16(21)10-17)12-6-8-18-9-7-12/h2-9,11H,10,17H2,1H3
InChIKeyFDEINKIVFLDJIA-UHFFFAOYSA-N
XLogP2.20
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide (CID 19802660) is 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide is Cn1cc(N(C(=O)CN)c2ccncc2)c2ccccc21.
What is the InChIKey of 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide?
The InChIKey is FDEINKIVFLDJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19-11-15(13-4-2-3-5-14(13)19)20(16(21)10-17)12-6-8-18-9-7-12/h2-9,11H,10,17H2,1H3.
What are the key properties of 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide?
2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide has a molecular weight of 280.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylindol-3-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 19802660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).