7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide

C18H18ClN3O — CID 121498155

IUPAC7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide
SMILESCc1cccnc1C(C)NC(=O)c1cc2cccc(Cl)c2n1C
InChIInChI=1S/C18H18ClN3O/c1-11-6-5-9-20-16(11)12(2)21-18(23)15-10-13-7-4-8-14(19)17(13)22(15)3/h4-10,12H,1-3H3,(H,21,23)
InChIKeyXSKXMCDOZNFCMQ-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.03
Rot. Bonds3

About 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide

7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide (PubChem CID 121498155) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide
PubChem CID121498155
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide
SMILESCc1cccnc1C(C)NC(=O)c1cc2cccc(Cl)c2n1C
InChIInChI=1S/C18H18ClN3O/c1-11-6-5-9-20-16(11)12(2)21-18(23)15-10-13-7-4-8-14(19)17(13)22(15)3/h4-10,12H,1-3H3,(H,21,23)
InChIKeyXSKXMCDOZNFCMQ-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide?
The IUPAC name of 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide (CID 121498155) is 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide?
The canonical SMILES for 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide is Cc1cccnc1C(C)NC(=O)c1cc2cccc(Cl)c2n1C.
What is the InChIKey of 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide?
The InChIKey is XSKXMCDOZNFCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-11-6-5-9-20-16(11)12(2)21-18(23)15-10-13-7-4-8-14(19)17(13)22(15)3/h4-10,12H,1-3H3,(H,21,23).
What are the key properties of 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide?
7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide has a molecular weight of 327.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 121498155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).