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

C21H28N6O — CID 56868752

IUPACN-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C21H28N6O/c28-20(25-15-17-4-1-8-22-14-17)18-5-2-11-27(16-18)19-6-12-26(13-7-19)21-23-9-3-10-24-21/h1,3-4,8-10,14,18-19H,2,5-7,11-13,15-16H2,(H,25,28)
InChIKeyIOJXPAOCFDAVRN-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.87
Rot. Bonds5

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

N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 56868752) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID56868752
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCCN(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C21H28N6O/c28-20(25-15-17-4-1-8-22-14-17)18-5-2-11-27(16-18)19-6-12-26(13-7-19)21-23-9-3-10-24-21/h1,3-4,8-10,14,18-19H,2,5-7,11-13,15-16H2,(H,25,28)
InChIKeyIOJXPAOCFDAVRN-UHFFFAOYSA-N
XLogP1.87
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95552295
1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70755941
(3S)-1-[1-[4-(ethylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95463438
(3S)-1-[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95397635
(3S)-1-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95402526
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95539325
(3R)-1-[1-(3-hydroxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95215208
(3S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96575804
(3R)-1-[1-[2-(carbamoylamino)acetyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574126
1-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 56864966
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 56868752) is N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide is O=C(NCc1cccnc1)C1CCCN(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is IOJXPAOCFDAVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c28-20(25-15-17-4-1-8-22-14-17)18-5-2-11-27(16-18)19-6-12-26(13-7-19)21-23-9-3-10-24-21/h1,3-4,8-10,14,18-19H,2,5-7,11-13,15-16H2,(H,25,28).
What are the key properties of N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 56868752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).