N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

C22H26FN3O2 — CID 44526655

IUPACN-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(OCC2CCN(c3ccc(C(=O)NC4CC4)cn3)CC2)ccc1F
InChIInChI=1S/C22H26FN3O2/c1-15-12-19(5-6-20(15)23)28-14-16-8-10-26(11-9-16)21-7-2-17(13-24-21)22(27)25-18-3-4-18/h2,5-7,12-13,16,18H,3-4,8-11,14H2,1H3,(H,25,27)
InChIKeyDRFJEVHRSUCHOH-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.72
Rot. Bonds6

About N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide

N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 44526655) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID44526655
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(OCC2CCN(c3ccc(C(=O)NC4CC4)cn3)CC2)ccc1F
InChIInChI=1S/C22H26FN3O2/c1-15-12-19(5-6-20(15)23)28-14-16-8-10-26(11-9-16)21-7-2-17(13-24-21)22(27)25-18-3-4-18/h2,5-7,12-13,16,18H,3-4,8-11,14H2,1H3,(H,25,27)
InChIKeyDRFJEVHRSUCHOH-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 71891796
N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 44526663
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
4-[3-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]propoxy]-2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 44609017
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 134414273
2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 118134630
4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 118030547
N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 95105589
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244
N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47016815
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
methyl 3-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 71077920

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 44526655) is N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is Cc1cc(OCC2CCN(c3ccc(C(=O)NC4CC4)cn3)CC2)ccc1F.
What is the InChIKey of N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is DRFJEVHRSUCHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15-12-19(5-6-20(15)23)28-14-16-8-10-26(11-9-16)21-7-2-17(13-24-21)22(27)25-18-3-4-18/h2,5-7,12-13,16,18H,3-4,8-11,14H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide?
N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44526655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).