N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide

C24H30FN5O2 — CID 139332932

IUPACN-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide
SMILESCN/C=C(\N)c1cc(F)cc(CNC(=O)C2C=C(N3CC[C@@](C)(C4CC4)C3=O)C=CN2)c1
InChIInChI=1S/C24H30FN5O2/c1-24(17-3-4-17)6-8-30(23(24)32)19-5-7-28-21(12-19)22(31)29-13-15-9-16(11-18(25)10-15)20(26)14-27-2/h5,7,9-12,14,17,21,27-28H,3-4,6,8,13,26H2,1-2H3,(H,29,31)/b20-14-/t21?,24-/m0/s1
InChIKeyTVOWWABCQADETN-ZXTXWQEASA-N
MW439.54 g/mol
LogP1.94
Rot. Bonds7

About N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide

N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide (PubChem CID 139332932) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide
PubChem CID139332932
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC NameN-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide
SMILESCN/C=C(\N)c1cc(F)cc(CNC(=O)C2C=C(N3CC[C@@](C)(C4CC4)C3=O)C=CN2)c1
InChIInChI=1S/C24H30FN5O2/c1-24(17-3-4-17)6-8-30(23(24)32)19-5-7-28-21(12-19)22(31)29-13-15-9-16(11-18(25)10-15)20(26)14-27-2/h5,7,9-12,14,17,21,27-28H,3-4,6,8,13,26H2,1-2H3,(H,29,31)/b20-14-/t21?,24-/m0/s1
InChIKeyTVOWWABCQADETN-ZXTXWQEASA-N
XLogP1.94
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide?
The IUPAC name of N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide (CID 139332932) is N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide.
What is the SMILES notation for N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide?
The canonical SMILES for N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide is CN/C=C(\N)c1cc(F)cc(CNC(=O)C2C=C(N3CC[C@@](C)(C4CC4)C3=O)C=CN2)c1.
What is the InChIKey of N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide?
The InChIKey is TVOWWABCQADETN-ZXTXWQEASA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-24(17-3-4-17)6-8-30(23(24)32)19-5-7-28-21(12-19)22(31)29-13-15-9-16(11-18(25)10-15)20(26)14-27-2/h5,7,9-12,14,17,21,27-28H,3-4,6,8,13,26H2,1-2H3,(H,29,31)/b20-14-/t21?,24-/m0/s1.
What are the key properties of N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide?
N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(Z)-1-amino-2-(methylamino)ethenyl]-5-fluorophenyl]methyl]-4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-1,2-dihydropyridine-2-carboxamide is sourced from PubChem (CID 139332932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).