N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide

C25H25N5O2 — CID 46191383

IUPACN-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESN#Cc1cccc(CN2CCC(Oc3ccc(CNC(=O)c4ccncc4)cn3)CC2)c1
InChIInChI=1S/C25H25N5O2/c26-15-19-2-1-3-20(14-19)18-30-12-8-23(9-13-30)32-24-5-4-21(16-28-24)17-29-25(31)22-6-10-27-11-7-22/h1-7,10-11,14,16,23H,8-9,12-13,17-18H2,(H,29,31)
InChIKeyYCPBERCLMHRZHE-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.32
Rot. Bonds7

About N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide

N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 46191383) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID46191383
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESN#Cc1cccc(CN2CCC(Oc3ccc(CNC(=O)c4ccncc4)cn3)CC2)c1
InChIInChI=1S/C25H25N5O2/c26-15-19-2-1-3-20(14-19)18-30-12-8-23(9-13-30)32-24-5-4-21(16-28-24)17-29-25(31)22-6-10-27-11-7-22/h1-7,10-11,14,16,23H,8-9,12-13,17-18H2,(H,29,31)
InChIKeyYCPBERCLMHRZHE-UHFFFAOYSA-N
XLogP3.32
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[6-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190747
N,N-dimethyl-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824330
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
N-[[6-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46191243
N-[[6-[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-4-phenylbenzamide
CID 46190883
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134806201
3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 24732540
N-[[6-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]-3-methylbutanamide
CID 46190049
[1-[(3-cyanophenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]-3,6-dihydro-2H-pyridin-4-yl] cyanate
CID 154694398
3-cyano-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 11249473
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 46191383) is N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide is N#Cc1cccc(CN2CCC(Oc3ccc(CNC(=O)c4ccncc4)cn3)CC2)c1.
What is the InChIKey of N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is YCPBERCLMHRZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c26-15-19-2-1-3-20(14-19)18-30-12-8-23(9-13-30)32-24-5-4-21(16-28-24)17-29-25(31)22-6-10-27-11-7-22/h1-7,10-11,14,16,23H,8-9,12-13,17-18H2,(H,29,31).
What are the key properties of N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide?
N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 46191383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).