4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide

C19H22F3N5O — CID 137282042

IUPAC4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide
SMILESCNc1cc[nH]c(=O)c1/C(N)=N/c1ccc(C2(C(F)(F)F)CCCCN2)cc1
InChIInChI=1S/C19H22F3N5O/c1-24-14-8-11-25-17(28)15(14)16(23)27-13-6-4-12(5-7-13)18(19(20,21)22)9-2-3-10-26-18/h4-8,11,26H,2-3,9-10H2,1H3,(H2,23,27)(H2,24,25,28)
InChIKeyWKTCYCQYOXXUQF-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.98
Rot. Bonds4

About 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide

4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide (PubChem CID 137282042) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide
PubChem CID137282042
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide
SMILESCNc1cc[nH]c(=O)c1/C(N)=N/c1ccc(C2(C(F)(F)F)CCCCN2)cc1
InChIInChI=1S/C19H22F3N5O/c1-24-14-8-11-25-17(28)15(14)16(23)27-13-6-4-12(5-7-13)18(19(20,21)22)9-2-3-10-26-18/h4-8,11,26H,2-3,9-10H2,1H3,(H2,23,27)(H2,24,25,28)
InChIKeyWKTCYCQYOXXUQF-UHFFFAOYSA-N
XLogP2.98
TPSA95.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-amino-2-(2,2,2-trifluoroethylamino)ethenyl]-3-[1-[4-(1-methylpiperidin-4-yl)anilino]ethenyl]-1H-pyridin-2-one
CID 89162075
4-amino-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 136421547
8-[4-(1-Acetylpiperidin-4-yl)phenyl]imino-6-(3,3-difluoropyrrolidin-1-yl)-2,8a-dihydro-2,7-naphthyridin-1-one
CID 136631929
N'-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]-4-[[(1S,2S)-2-cyanocyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 136950928
4-(cyclohexylamino)-2-oxo-N'-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-yl]-1H-pyridine-3-carboximidamide
CID 137028701
1-acetyl-N'-[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]-4-(2,2,2-trifluoroethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137093160
4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137152937
N'-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 137156300
1-acetyl-N'-[4-(3,4-difluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161575
1-acetyl-N'-[4-(2,5-difluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161577
1-acetyl-N'-[4-(4-fluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161590
1-acetyl-4-(methylamino)-N'-[4-[4-(trifluoromethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161607

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide (CID 137282042) is 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide is CNc1cc[nH]c(=O)c1/C(N)=N/c1ccc(C2(C(F)(F)F)CCCCN2)cc1.
What is the InChIKey of 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide?
The InChIKey is WKTCYCQYOXXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-24-14-8-11-25-17(28)15(14)16(23)27-13-6-4-12(5-7-13)18(19(20,21)22)9-2-3-10-26-18/h4-8,11,26H,2-3,9-10H2,1H3,(H2,23,27)(H2,24,25,28).
What are the key properties of 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide?
4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide has a molecular weight of 393.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).