N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C24H33N5O — CID 70731407

IUPACN-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C24H33N5O/c30-24(27-13-7-20-3-1-10-26-17-20)22-4-2-14-29(19-22)23-8-15-28(16-9-23)18-21-5-11-25-12-6-21/h1,3,5-6,10-12,17,22-23H,2,4,7-9,13-16,18-19H2,(H,27,30)
InChIKeyGZDPZTFSEKRJPW-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.51
Rot. Bonds7

About N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 70731407) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID70731407
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCCN(C2CCN(Cc3ccncc3)CC2)C1
InChIInChI=1S/C24H33N5O/c30-24(27-13-7-20-3-1-10-26-17-20)22-4-2-14-29(19-22)23-8-15-28(16-9-23)18-21-5-11-25-12-6-21/h1,3,5-6,10-12,17,22-23H,2,4,7-9,13-16,18-19H2,(H,27,30)
InChIKeyGZDPZTFSEKRJPW-UHFFFAOYSA-N
XLogP2.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573997
N-(3,3-dimethylbutyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56875611
(3R)-N-(2-pyridin-2-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96582429
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573894
(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590
1-(1-benzylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 45169933
N-butyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45204948
(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96572438
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 56875334
(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 95559160
(3R)-N-(3-methoxypropyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95486412

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 70731407) is N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NCCc1cccnc1)C1CCCN(C2CCN(Cc3ccncc3)CC2)C1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is GZDPZTFSEKRJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c30-24(27-13-7-20-3-1-10-26-17-20)22-4-2-14-29(19-22)23-8-15-28(16-9-23)18-21-5-11-25-12-6-21/h1,3,5-6,10-12,17,22-23H,2,4,7-9,13-16,18-19H2,(H,27,30).
What are the key properties of N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 70731407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).