5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide

C20H26N4O2 — CID 109223246

IUPAC5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(N2CCN(c3cncc(C(=O)NC(C)C)c3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-15(2)22-20(25)16-12-18(14-21-13-16)24-10-8-23(9-11-24)17-4-6-19(26-3)7-5-17/h4-7,12-15H,8-11H2,1-3H3,(H,22,25)
InChIKeyYPTPKZIYFZVFNW-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.56
Rot. Bonds5

About 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide

5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223246) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223246
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(N2CCN(c3cncc(C(=O)NC(C)C)c3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-15(2)22-20(25)16-12-18(14-21-13-16)24-10-8-23(9-11-24)17-4-6-19(26-3)7-5-17/h4-7,12-15H,8-11H2,1-3H3,(H,22,25)
InChIKeyYPTPKZIYFZVFNW-UHFFFAOYSA-N
XLogP2.56
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102368
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223224
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223215
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide (CID 109223246) is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide is COc1ccc(N2CCN(c3cncc(C(=O)NC(C)C)c3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is YPTPKZIYFZVFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)22-20(25)16-12-18(14-21-13-16)24-10-8-23(9-11-24)17-4-6-19(26-3)7-5-17/h4-7,12-15H,8-11H2,1-3H3,(H,22,25).
What are the key properties of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).