2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide

C24H26F3N5O2 — CID 178093355

IUPAC2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
SMILESCc1cn(-c2cc(C(=O)NC3CCCN(C)C3)cc(-c3ccc(OCC(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C24H26F3N5O2/c1-16-12-32(15-28-16)22-11-18(23(33)29-19-4-3-9-31(2)13-19)10-21(30-22)17-5-7-20(8-6-17)34-14-24(25,26)27/h5-8,10-12,15,19H,3-4,9,13-14H2,1-2H3,(H,29,33)
InChIKeyXWOZTOQPXJQQQI-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.01
Rot. Bonds6

About 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide

2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 178093355) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
PubChem CID178093355
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
SMILESCc1cn(-c2cc(C(=O)NC3CCCN(C)C3)cc(-c3ccc(OCC(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C24H26F3N5O2/c1-16-12-32(15-28-16)22-11-18(23(33)29-19-4-3-9-31(2)13-19)10-21(30-22)17-5-7-20(8-6-17)34-14-24(25,26)27/h5-8,10-12,15,19H,3-4,9,13-14H2,1-2H3,(H,29,33)
InChIKeyXWOZTOQPXJQQQI-UHFFFAOYSA-N
XLogP4.01
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 178093572
1-[4-[(1-methylpiperidin-3-yl)carbamoyl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 178093555
2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane
CID 178093408
2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
CID 178093419
2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
CID 178093607
2-[(Z)-1-amino-3-methyliminobut-1-en-2-yl]-N-(1-methylpiperidin-3-yl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2-dihydropyrimidine-6-carboxamide;ethane
CID 178093475
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
CID 99741436
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 52532296
4-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887879
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide (CID 178093355) is 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide is Cc1cn(-c2cc(C(=O)NC3CCCN(C)C3)cc(-c3ccc(OCC(F)(F)F)cc3)n2)cn1.
What is the InChIKey of 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is XWOZTOQPXJQQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-16-12-32(15-28-16)22-11-18(23(33)29-19-4-3-9-31(2)13-19)10-21(30-22)17-5-7-20(8-6-17)34-14-24(25,26)27/h5-8,10-12,15,19H,3-4,9,13-14H2,1-2H3,(H,29,33).
What are the key properties of 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide?
2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 178093355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).