N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide

C17H15N5O — CID 18532713

IUPACN-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H15N5O/c23-17(11-5-6-15-16(9-11)21-22-20-15)18-8-7-12-10-19-14-4-2-1-3-13(12)14/h1-6,9-10,19H,7-8H2,(H,18,23)(H,20,21,22)
InChIKeyYPRRWBQWKYVJFT-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.41
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 18532713) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
PubChem CID18532713
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H15N5O/c23-17(11-5-6-15-16(9-11)21-22-20-15)18-8-7-12-10-19-14-4-2-1-3-13(12)14/h1-6,9-10,19H,7-8H2,(H,18,23)(H,20,21,22)
InChIKeyYPRRWBQWKYVJFT-UHFFFAOYSA-N
XLogP2.41
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050911
N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
CID 119058397
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3-(2-amino-2-oxoethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 35559463
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide (CID 18532713) is N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is YPRRWBQWKYVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(11-5-6-15-16(9-11)21-22-20-15)18-8-7-12-10-19-14-4-2-1-3-13(12)14/h1-6,9-10,19H,7-8H2,(H,18,23)(H,20,21,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 18532713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).