(3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

C28H35F3N4O2 — CID 118282144

IUPAC(3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESC=C1/C=C\C=C/C(C)/C(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)=C\N1CC(F)(F)F
InChIInChI=1S/C28H35F3N4O2/c1-19-6-4-5-7-20(2)34(18-28(29,30)31)16-22(19)17-35(23-8-9-23)27(37)25-15-32-12-10-24(25)21-11-13-33(3)26(36)14-21/h4-7,11,13-14,16,19,23-25,32H,2,8-10,12,15,17-18H2,1,3H3/b6-4-,7-5-,22-16-/t19?,24-,25+/m1/s1
InChIKeyPNHOCWSDNOMEKH-RCJWJROKSA-N
MW516.61 g/mol
LogP4.09
Rot. Bonds6

About (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

(3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 118282144) has the molecular formula C28H35F3N4O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
PubChem CID118282144
Molecular FormulaC28H35F3N4O2
Molecular Weight516.61 g/mol
Exact Mass516.27
IUPAC Name(3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESC=C1/C=C\C=C/C(C)/C(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)=C\N1CC(F)(F)F
InChIInChI=1S/C28H35F3N4O2/c1-19-6-4-5-7-20(2)34(18-28(29,30)31)16-22(19)17-35(23-8-9-23)27(37)25-15-32-12-10-24(25)21-11-13-33(3)26(36)14-21/h4-7,11,13-14,16,19,23-25,32H,2,8-10,12,15,17-18H2,1,3H3/b6-4-,7-5-,22-16-/t19?,24-,25+/m1/s1
InChIKeyPNHOCWSDNOMEKH-RCJWJROKSA-N
XLogP4.09
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.61
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 70913335
(3R)-N-cyclopropyl-N-[[(5Z,8E)-2-methylidene-1-(4,4,4-trifluorobutyl)-4,7-dihydro-3H-azonin-8-yl]methyl]piperidine-3-carboxamide
CID 89131516
(3R)-N-cyclopropyl-N-[2-[6-[methyl(2,2,2-trifluoroethyl)amino]cyclohexa-2,4-dien-1-yl]prop-2-enyl]piperidine-3-carboxamide
CID 89131519
(1S)-4-[(Z)-amino-[1-[[(3S,6S)-6-methyl-1-propanoylpiperidin-3-yl]methyl]-3H-pyrrol-2-ylidene]methyl]-N-[(Z,3R)-5-amino-3-(trifluoromethyl)pent-4-enyl]-2-methylcyclohexa-2,4-diene-1-carboxamide
CID 90316438
(5E)-5-[(Z)-but-2-enylidene]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidenepyrrole-3-carboxamide
CID 118603294
4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 166657161
N-[(E,5E)-5-[(6Z)-6-[1-amino-2-(trifluoromethyl)prop-2-enylidene]-2-[(2,2,2-trifluoro-1-piperidin-4-ylethyl)amino]cyclohexa-2,4-dien-1-ylidene]-4-methylpent-2-enyl]cyclopropanecarboxamide
CID 178010395
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 53506889
(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95137467
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95137468
1-Cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66895776
N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66895777

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 118282144) is (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is C=C1/C=C\C=C/C(C)/C(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)=C\N1CC(F)(F)F.
What is the InChIKey of (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PNHOCWSDNOMEKH-RCJWJROKSA-N. The full InChI is InChI=1S/C28H35F3N4O2/c1-19-6-4-5-7-20(2)34(18-28(29,30)31)16-22(19)17-35(23-8-9-23)27(37)25-15-32-12-10-24(25)21-11-13-33(3)26(36)14-21/h4-7,11,13-14,16,19,23-25,32H,2,8-10,12,15,17-18H2,1,3H3/b6-4-,7-5-,22-16-/t19?,24-,25+/m1/s1.
What are the key properties of (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
(3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 516.61 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 118282144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).