N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide

C20H25FN4O — CID 95689792

IUPACN-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C20H25FN4O/c1-14-4-5-16(13-22-14)20(26)23-15(2)18-12-17(21)6-7-19(18)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyLKKPCPDLTDNFPL-OAHLLOKOSA-N
MW356.45 g/mol
LogP2.77
Rot. Bonds4

About N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide

N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 95689792) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
PubChem CID95689792
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC NameN-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cn1
InChIInChI=1S/C20H25FN4O/c1-14-4-5-16(13-22-14)20(26)23-15(2)18-12-17(21)6-7-19(18)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyLKKPCPDLTDNFPL-OAHLLOKOSA-N
XLogP2.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.77
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-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 60616711
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide
CID 94816152
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-methylimidazo[1,5-a]pyridine-6-carboxamide
CID 126797853
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
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
(2S,4S)-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylpiperidine-4-carboxamide
CID 120635063
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]urea
CID 167861465
(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine
CID 97322165
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 126801869

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide (CID 95689792) is N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cn1.
What is the InChIKey of N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is LKKPCPDLTDNFPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-14-4-5-16(13-22-14)20(26)23-15(2)18-12-17(21)6-7-19(18)25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide?
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 95689792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).