N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C24H29ClF3N5O2 — CID 77250426

IUPACN-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCC3CCOCC3)n2)c(Cl)cn1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C24H29ClF3N5O2/c25-19-13-30-22(32-23(34)17-3-2-8-33(14-17)15-24(26,27)28)11-18(19)20-4-1-5-21(31-20)29-12-16-6-9-35-10-7-16/h1,4-5,11,13,16-17H,2-3,6-10,12,14-15H2,(H,29,31)(H,30,32,34)
InChIKeyKTVUQQGTULTRHT-UHFFFAOYSA-N
MW511.98 g/mol
LogP4.85
Rot. Bonds7

About N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 77250426) has the molecular formula C24H29ClF3N5O2 and a molecular weight of 511.98 g/mol. Its IUPAC name is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID77250426
Molecular FormulaC24H29ClF3N5O2
Molecular Weight511.98 g/mol
Exact Mass511.20
IUPAC NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCC3CCOCC3)n2)c(Cl)cn1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C24H29ClF3N5O2/c25-19-13-30-22(32-23(34)17-3-2-8-33(14-17)15-24(26,27)28)11-18(19)20-4-1-5-21(31-20)29-12-16-6-9-35-10-7-16/h1,4-5,11,13,16-17H,2-3,6-10,12,14-15H2,(H,29,31)(H,30,32,34)
InChIKeyKTVUQQGTULTRHT-UHFFFAOYSA-N
XLogP4.85
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.98
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
(3R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67222084
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
(2R)-N-[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)-3-pyridinyl]-2-pyridinyl]morpholine-2-carboxamide
CID 60142176
[3-(5-Chloro-3-methyl-2-pyridinyl)-3-fluoropiperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 91799673
N-(5-chloropyridin-2-yl)-2-[4-[3-chloro-2-(trifluoromethyl)pyridin-4-yl]piperidin-1-yl]-2-oxoacetamide
CID 139295431
1-N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-4-N-(2-methoxyethyl)-4-N-methylcyclohexane-1,4-diamine
CID 50905094
4-N-[5-chloro-4-[3-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906174
5'-chloro-3-fluoro-N2'-(trans-4-(2-methoxyethylamino)cyclohexyl)-N6-((tetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridine-2',6-diamine
CID 50906175
3,5'-dichloro-N6-((tetrahydro-2H-pyran-4-yl)methyl)-N2'-(trans-4-(2-(trifluoromethoxy)ethylamino)cyclohexyl)-2,4'-bipyridine-2',6-diamine
CID 50906392
4-N-[5-chloro-4-[3,5-dichloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 50906395
N2'-(trans-4-aminocyclohexyl)-5'-chloro-5-fluoro-N6-((tetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridine-2',6-diamine
CID 50906396

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 77250426) is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(Nc1cc(-c2cccc(NCC3CCOCC3)n2)c(Cl)cn1)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is KTVUQQGTULTRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClF3N5O2/c25-19-13-30-22(32-23(34)17-3-2-8-33(14-17)15-24(26,27)28)11-18(19)20-4-1-5-21(31-20)29-12-16-6-9-35-10-7-16/h1,4-5,11,13,16-17H,2-3,6-10,12,14-15H2,(H,29,31)(H,30,32,34).
What are the key properties of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 511.98 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 77250426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).