N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

C20H26FN5O — CID 109207121

IUPACN-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(N2CCN(c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C20H26FN5O/c1-24(2)10-9-23-20(27)19-15-18(7-8-22-19)26-13-11-25(12-14-26)17-5-3-16(21)4-6-17/h3-8,15H,9-14H2,1-2H3,(H,23,27)
InChIKeyKQKRBDOMKRIGJM-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.84
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 109207121) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID109207121
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(N2CCN(c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C20H26FN5O/c1-24(2)10-9-23-20(27)19-15-18(7-8-22-19)26-13-11-25(12-14-26)17-5-3-16(21)4-6-17/h3-8,15H,9-14H2,1-2H3,(H,23,27)
InChIKeyKQKRBDOMKRIGJM-UHFFFAOYSA-N
XLogP1.84
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
CID 109207136
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
N-[2-(4-fluorophenyl)ethyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208878
N-[2-(dimethylamino)ethyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043620
N-[3-(dimethylamino)propyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109207757
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206768
4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206099
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (CID 109207121) is N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cc(N2CCN(c3ccc(F)cc3)CC2)ccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is KQKRBDOMKRIGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-24(2)10-9-23-20(27)19-15-18(7-8-22-19)26-13-11-25(12-14-26)17-5-3-16(21)4-6-17/h3-8,15H,9-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 109207121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).