N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide

C20H26N6O2 — CID 109083595

IUPACN-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C20H26N6O2/c1-24(2)10-9-23-19(27)17-15-16(6-8-21-17)20(28)26-13-11-25(12-14-26)18-5-3-4-7-22-18/h3-8,15H,9-14H2,1-2H3,(H,23,27)
InChIKeyQQSZRMZEWDHFDX-UHFFFAOYSA-N
MW382.47 g/mol
LogP0.73
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109083595) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109083595
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C20H26N6O2/c1-24(2)10-9-23-19(27)17-15-16(6-8-21-17)20(28)26-13-11-25(12-14-26)18-5-3-4-7-22-18/h3-8,15H,9-14H2,1-2H3,(H,23,27)
InChIKeyQQSZRMZEWDHFDX-UHFFFAOYSA-N
XLogP0.73
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096318
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109168348
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109080186
N-[2-(dimethylamino)ethyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109083438
N-[3-(dimethylamino)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109344900
[2-[2-(dimethylamino)ethylamino]pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109252908
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053
N-[2-(dimethylamino)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-2-carboxamide
CID 109083588
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
N-[2-(dimethylamino)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109083608
[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109301731

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109083595) is N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide is CN(C)CCNC(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is QQSZRMZEWDHFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-24(2)10-9-23-19(27)17-15-16(6-8-21-17)20(28)26-13-11-25(12-14-26)18-5-3-4-7-22-18/h3-8,15H,9-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109083595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).