N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide

C25H27N3O2 — CID 55745402

IUPACN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
SMILESCc1cccc(CN2CCC(NC(=O)c3cccnc3Oc3ccccc3)CC2)c1
InChIInChI=1S/C25H27N3O2/c1-19-7-5-8-20(17-19)18-28-15-12-21(13-16-28)27-24(29)23-11-6-14-26-25(23)30-22-9-3-2-4-10-22/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,27,29)
InChIKeyMOLKBXDHWBQWTJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.58
Rot. Bonds6

About N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide (PubChem CID 55745402) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
PubChem CID55745402
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
SMILESCc1cccc(CN2CCC(NC(=O)c3cccnc3Oc3ccccc3)CC2)c1
InChIInChI=1S/C25H27N3O2/c1-19-7-5-8-20(17-19)18-28-15-12-21(13-16-28)27-24(29)23-11-6-14-26-25(23)30-22-9-3-2-4-10-22/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,27,29)
InChIKeyMOLKBXDHWBQWTJ-UHFFFAOYSA-N
XLogP4.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
2-(4-bromophenoxy)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyridine-3-carboxamide
CID 56569700
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87035940
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
N-(1-methylpiperidin-4-yl)-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 91571975
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide (CID 55745402) is N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide is Cc1cccc(CN2CCC(NC(=O)c3cccnc3Oc3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide?
The InChIKey is MOLKBXDHWBQWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-19-7-5-8-20(17-19)18-28-15-12-21(13-16-28)27-24(29)23-11-6-14-26-25(23)30-22-9-3-2-4-10-22/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,27,29).
What are the key properties of N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide?
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 55745402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).