5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide

C21H23ClN4O — CID 46971324

IUPAC5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C21H23ClN4O/c1-25-19-5-4-17(22)11-16(19)12-20(25)21(27)24-18-6-9-26(10-7-18)14-15-3-2-8-23-13-15/h2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,24,27)
InChIKeyHVQJBSULEPSJOM-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.62
Rot. Bonds4

About 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide

5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide (PubChem CID 46971324) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide
PubChem CID46971324
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C21H23ClN4O/c1-25-19-5-4-17(22)11-16(19)12-20(25)21(27)24-18-6-9-26(10-7-18)14-15-3-2-8-23-13-15/h2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,24,27)
InChIKeyHVQJBSULEPSJOM-UHFFFAOYSA-N
XLogP3.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide?
The IUPAC name of 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide (CID 46971324) is 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide is Cn1c(C(=O)NC2CCN(Cc3cccnc3)CC2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide?
The InChIKey is HVQJBSULEPSJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-25-19-5-4-17(22)11-16(19)12-20(25)21(27)24-18-6-9-26(10-7-18)14-15-3-2-8-23-13-15/h2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,24,27).
What are the key properties of 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide?
5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide has a molecular weight of 382.90 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]indole-2-carboxamide is sourced from PubChem (CID 46971324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).