2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide

C24H26N4O — CID 174194574

IUPAC2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1ncc(N2CCNCC2)cc1C(=O)NC1(c2cccc3ccccc23)CC1
InChIInChI=1S/C24H26N4O/c1-17-21(15-19(16-26-17)28-13-11-25-12-14-28)23(29)27-24(9-10-24)22-8-4-6-18-5-2-3-7-20(18)22/h2-8,15-16,25H,9-14H2,1H3,(H,27,29)
InChIKeyZCYPZBVUGYTJNG-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.37
Rot. Bonds4

About 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide

2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 174194574) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide
PubChem CID174194574
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1ncc(N2CCNCC2)cc1C(=O)NC1(c2cccc3ccccc23)CC1
InChIInChI=1S/C24H26N4O/c1-17-21(15-19(16-26-17)28-13-11-25-12-14-28)23(29)27-24(9-10-24)22-8-4-6-18-5-2-3-7-20(18)22/h2-8,15-16,25H,9-14H2,1H3,(H,27,29)
InChIKeyZCYPZBVUGYTJNG-UHFFFAOYSA-N
XLogP3.37
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide (CID 174194574) is 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide is Cc1ncc(N2CCNCC2)cc1C(=O)NC1(c2cccc3ccccc23)CC1.
What is the InChIKey of 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is ZCYPZBVUGYTJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-21(15-19(16-26-17)28-13-11-25-12-14-28)23(29)27-24(9-10-24)22-8-4-6-18-5-2-3-7-20(18)22/h2-8,15-16,25H,9-14H2,1H3,(H,27,29).
What are the key properties of 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide?
2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 174194574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).