N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide

C26H29FN4O2 — CID 23728806

IUPACN-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C26H29FN4O2/c1-3-31(23-9-4-20(5-10-23)18-30-15-14-28-19(2)17-30)26(32)21-6-13-25(29-16-21)33-24-11-7-22(27)8-12-24/h4-13,16,19,28H,3,14-15,17-18H2,1-2H3/t19-/m0/s1
InChIKeySDPQSLSZEYNULK-IBGZPJMESA-N
MW448.54 g/mol
LogP4.47
Rot. Bonds7

About N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide

N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 23728806) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
PubChem CID23728806
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC NameN-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C26H29FN4O2/c1-3-31(23-9-4-20(5-10-23)18-30-15-14-28-19(2)17-30)26(32)21-6-13-25(29-16-21)33-24-11-7-22(27)8-12-24/h4-13,16,19,28H,3,14-15,17-18H2,1-2H3/t19-/m0/s1
InChIKeySDPQSLSZEYNULK-IBGZPJMESA-N
XLogP4.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Diflufenican
CID 91735
Jnj-39220675
CID 24771368
Ondelopran
CID 10457387
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
YM-244769
CID 11442117
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
VU0404251
CID 58368068
5-({3-[4-(Morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide
CID 121231415

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide (CID 23728806) is N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide is CCN(C(=O)c1ccc(Oc2ccc(F)cc2)nc1)c1ccc(CN2CCN[C@@H](C)C2)cc1.
What is the InChIKey of N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is SDPQSLSZEYNULK-IBGZPJMESA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-3-31(23-9-4-20(5-10-23)18-30-15-14-28-19(2)17-30)26(32)21-6-13-25(29-16-21)33-24-11-7-22(27)8-12-24/h4-13,16,19,28H,3,14-15,17-18H2,1-2H3/t19-/m0/s1.
What are the key properties of N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide?
N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-fluorophenoxy)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23728806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).