N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide

C16H16N4O — CID 110745123

IUPACN-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCn1cc(CCNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-20-11-12(13-4-2-3-5-15(13)20)6-7-19-16(21)14-10-17-8-9-18-14/h2-5,8-11H,6-7H2,1H3,(H,19,21)
InChIKeyPHWWQKVDDPZDSE-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide

N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 110745123) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID110745123
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCn1cc(CCNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C16H16N4O/c1-20-11-12(13-4-2-3-5-15(13)20)6-7-19-16(21)14-10-17-8-9-18-14/h2-5,8-11H,6-7H2,1H3,(H,19,21)
InChIKeyPHWWQKVDDPZDSE-UHFFFAOYSA-N
XLogP1.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
CID 49003633
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
N-[2-(1-methylindol-3-yl)ethyl]furan-2-carboxamide
CID 45069388
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593
N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51091511
N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794096
2-acetamido-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 11196581
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
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1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide (CID 110745123) is N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide is Cn1cc(CCNC(=O)c2cnccn2)c2ccccc21.
What is the InChIKey of N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is PHWWQKVDDPZDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-11-12(13-4-2-3-5-15(13)20)6-7-19-16(21)14-10-17-8-9-18-14/h2-5,8-11H,6-7H2,1H3,(H,19,21).
What are the key properties of N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110745123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).