6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide

C19H20ClN5O — CID 167808805

IUPAC6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide
SMILESCc1cc(Cl)cc2[nH]c(C(=O)Nc3ccc(N4CCNCC4)cn3)cc12
InChIInChI=1S/C19H20ClN5O/c1-12-8-13(20)9-16-15(12)10-17(23-16)19(26)24-18-3-2-14(11-22-18)25-6-4-21-5-7-25/h2-3,8-11,21,23H,4-7H2,1H3,(H,22,24,26)
InChIKeyMZMFZXNUYBVYOQ-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.19
Rot. Bonds3

About 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide

6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide (PubChem CID 167808805) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide
PubChem CID167808805
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide
SMILESCc1cc(Cl)cc2[nH]c(C(=O)Nc3ccc(N4CCNCC4)cn3)cc12
InChIInChI=1S/C19H20ClN5O/c1-12-8-13(20)9-16-15(12)10-17(23-16)19(26)24-18-3-2-14(11-22-18)25-6-4-21-5-7-25/h2-3,8-11,21,23H,4-7H2,1H3,(H,22,24,26)
InChIKeyMZMFZXNUYBVYOQ-UHFFFAOYSA-N
XLogP3.19
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
5-bromo-2-methyl-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494211
4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
CID 167750453
5-chloro-2-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494570
N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119494632
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 134002725
5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)furan-2-carboxamide
CID 119494477
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
CID 119494214
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
2,4-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119494520

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide (CID 167808805) is 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide is Cc1cc(Cl)cc2[nH]c(C(=O)Nc3ccc(N4CCNCC4)cn3)cc12.
What is the InChIKey of 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide?
The InChIKey is MZMFZXNUYBVYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-12-8-13(20)9-16-15(12)10-17(23-16)19(26)24-18-3-2-14(11-22-18)25-6-4-21-5-7-25/h2-3,8-11,21,23H,4-7H2,1H3,(H,22,24,26).
What are the key properties of 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide?
6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-(5-piperazin-1-yl-2-pyridinyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 167808805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).