N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide

C17H14N4O2 — CID 174972688

IUPACN-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cncc(-c2ccc(NC=O)c3[nH]ccc23)c1
InChIInChI=1S/C17H14N4O2/c1-2-16(23)21-12-7-11(8-18-9-12)13-3-4-15(20-10-22)17-14(13)5-6-19-17/h2-10,19H,1H2,(H,20,22)(H,21,23)
InChIKeyABWBYKMIZNPEBO-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.92
Rot. Bonds5

About N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide

N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide (PubChem CID 174972688) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide
PubChem CID174972688
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cncc(-c2ccc(NC=O)c3[nH]ccc23)c1
InChIInChI=1S/C17H14N4O2/c1-2-16(23)21-12-7-11(8-18-9-12)13-3-4-15(20-10-22)17-14(13)5-6-19-17/h2-10,19H,1H2,(H,20,22)(H,21,23)
InChIKeyABWBYKMIZNPEBO-UHFFFAOYSA-N
XLogP2.92
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide (CID 174972688) is N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cncc(-c2ccc(NC=O)c3[nH]ccc23)c1.
What is the InChIKey of N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide?
The InChIKey is ABWBYKMIZNPEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-2-16(23)21-12-7-11(8-18-9-12)13-3-4-15(20-10-22)17-14(13)5-6-19-17/h2-10,19H,1H2,(H,20,22)(H,21,23).
What are the key properties of N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide?
N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide has a molecular weight of 306.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-formamido-1H-indol-4-yl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 174972688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).