N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide

C28H30N4O — CID 67231535

IUPACN-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCC1=C(CCN(CC2CC2)C(=O)c2nccnc2-c2ccc(C)c(C)c2)C2=CC=CCC2=N1
InChIInChI=1S/C28H30N4O/c1-18-8-11-22(16-19(18)2)26-27(30-14-13-29-26)28(33)32(17-21-9-10-21)15-12-23-20(3)31-25-7-5-4-6-24(23)25/h4-6,8,11,13-14,16,21H,7,9-10,12,15,17H2,1-3H3
InChIKeyACPOXMOMTMUXQJ-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.62
Rot. Bonds7

About N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide

N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 67231535) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID67231535
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC NameN-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCC1=C(CCN(CC2CC2)C(=O)c2nccnc2-c2ccc(C)c(C)c2)C2=CC=CCC2=N1
InChIInChI=1S/C28H30N4O/c1-18-8-11-22(16-19(18)2)26-27(30-14-13-29-26)28(33)32(17-21-9-10-21)15-12-23-20(3)31-25-7-5-4-6-24(23)25/h4-6,8,11,13-14,16,21H,7,9-10,12,15,17H2,1-3H3
InChIKeyACPOXMOMTMUXQJ-UHFFFAOYSA-N
XLogP5.62
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide (CID 67231535) is N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide is CC1=C(CCN(CC2CC2)C(=O)c2nccnc2-c2ccc(C)c(C)c2)C2=CC=CCC2=N1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is ACPOXMOMTMUXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-18-8-11-22(16-19(18)2)26-27(30-14-13-29-26)28(33)32(17-21-9-10-21)15-12-23-20(3)31-25-7-5-4-6-24(23)25/h4-6,8,11,13-14,16,21H,7,9-10,12,15,17H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 67231535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).