N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide

C19H23FN4O — CID 94816152

IUPACN-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccn1)c1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H23FN4O/c1-14(22-19(25)17-5-3-4-8-21-17)16-13-15(20)6-7-18(16)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyUYEDSGAVWBNGJB-AWEZNQCLSA-N
MW342.42 g/mol
LogP2.46
Rot. Bonds4

About N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide

N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide (PubChem CID 94816152) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide
PubChem CID94816152
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccn1)c1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C19H23FN4O/c1-14(22-19(25)17-5-3-4-8-21-17)16-13-15(20)6-7-18(16)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyUYEDSGAVWBNGJB-AWEZNQCLSA-N
XLogP2.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 51105766
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
CID 95689792
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 97088185
(2R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylsulfanylpropanamide
CID 94818363
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-imidazol-1-ylpropanamide
CID 95302428
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110922301
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-(methylamino)butanamide
CID 119902788
1-[(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-3-pyridin-2-ylurea
CID 52516092
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]urea
CID 167861465
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 97020577
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 60616711
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide
CID 71921965

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide (CID 94816152) is N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide is C[C@H](NC(=O)c1ccccn1)c1cc(F)ccc1N1CCN(C)CC1.
What is the InChIKey of N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide?
The InChIKey is UYEDSGAVWBNGJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14(22-19(25)17-5-3-4-8-21-17)16-13-15(20)6-7-18(16)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide?
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 94816152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).