N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide

C19H15N3O2 — CID 90549925

IUPACN-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc(C#CCNC(=O)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C19H15N3O2/c20-18(23)14-5-3-13(4-6-14)2-1-10-22-19(24)16-7-8-17-15(12-16)9-11-21-17/h3-9,11-12,21H,10H2,(H2,20,23)(H,22,24)
InChIKeyKBCAGBJXAAGCNE-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.05
Rot. Bonds3

About N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide

N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide (PubChem CID 90549925) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide
PubChem CID90549925
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc(C#CCNC(=O)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C19H15N3O2/c20-18(23)14-5-3-13(4-6-14)2-1-10-22-19(24)16-7-8-17-15(12-16)9-11-21-17/h3-9,11-12,21H,10H2,(H2,20,23)(H,22,24)
InChIKeyKBCAGBJXAAGCNE-UHFFFAOYSA-N
XLogP2.05
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-[3-(2-chlorophenyl)prop-2-ynyl]-1H-indole-5-carboxamide
CID 90548825
4-[3-[(4-chlorobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549768
4-[3-[(4-bromobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549771
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide
CID 90549900
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1,3-benzothiazole-6-carboxamide
CID 90549689
N-[(1-aminocyclobutyl)methyl]-1H-indole-5-carboxamide
CID 103352557
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
CID 107271586

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide (CID 90549925) is N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide is NC(=O)c1ccc(C#CCNC(=O)c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide?
The InChIKey is KBCAGBJXAAGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c20-18(23)14-5-3-13(4-6-14)2-1-10-22-19(24)16-7-8-17-15(12-16)9-11-21-17/h3-9,11-12,21H,10H2,(H2,20,23)(H,22,24).
What are the key properties of N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide?
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 90549925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).