1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C18H22N4O — CID 51361852

IUPAC1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H22N4O/c23-18(21-13-15-4-3-8-19-12-15)16-6-10-22(11-7-16)14-17-5-1-2-9-20-17/h1-5,8-9,12,16H,6-7,10-11,13-14H2,(H,21,23)
InChIKeyQLJLRXKILGBGSV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.01
Rot. Bonds5

About 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 51361852) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID51361852
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H22N4O/c23-18(21-13-15-4-3-8-19-12-15)16-6-10-22(11-7-16)14-17-5-1-2-9-20-17/h1-5,8-9,12,16H,6-7,10-11,13-14H2,(H,21,23)
InChIKeyQLJLRXKILGBGSV-UHFFFAOYSA-N
XLogP2.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-[(4-fluoronaphthalen-1-yl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 167936968
N-(pyridin-2-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873982
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
3-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131663587
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 28641556

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 51361852) is 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is QLJLRXKILGBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(21-13-15-4-3-8-19-12-15)16-6-10-22(11-7-16)14-17-5-1-2-9-20-17/h1-5,8-9,12,16H,6-7,10-11,13-14H2,(H,21,23).
What are the key properties of 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 51361852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).