N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

C17H17ClN4O — CID 39854536

IUPACN-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1cnccn1
InChIInChI=1S/C17H17ClN4O/c1-10-3-4-13(18)15-12(11(2)22-16(10)15)5-6-21-17(23)14-9-19-7-8-20-14/h3-4,7-9,22H,5-6H2,1-2H3,(H,21,23)
InChIKeyCCXNLRTVCWPLHN-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.20
Rot. Bonds4

About N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 39854536) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID39854536
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1cnccn1
InChIInChI=1S/C17H17ClN4O/c1-10-3-4-13(18)15-12(11(2)22-16(10)15)5-6-21-17(23)14-9-19-7-8-20-14/h3-4,7-9,22H,5-6H2,1-2H3,(H,21,23)
InChIKeyCCXNLRTVCWPLHN-UHFFFAOYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952762
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 39854653
2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethylazanium
CID 6983621
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 110742839
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794075
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]pyrazine-2-carboxamide
CID 110795702
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 83868286
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (CID 39854536) is N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is Cc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is CCXNLRTVCWPLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-10-3-4-13(18)15-12(11(2)22-16(10)15)5-6-21-17(23)14-9-19-7-8-20-14/h3-4,7-9,22H,5-6H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 39854536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).