pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone

C23H25N5O — CID 124975186

IUPACpyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(CCc2ccnc(Nc3ccccn3)c2)CC1
InChIInChI=1S/C23H25N5O/c29-23(20-4-3-11-24-17-20)28-14-9-18(10-15-28)6-7-19-8-13-26-22(16-19)27-21-5-1-2-12-25-21/h1-5,8,11-13,16-18H,6-7,9-10,14-15H2,(H,25,26,27)
InChIKeyKWBSJYUHUFNTBG-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.10
Rot. Bonds6

About pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone

pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone (PubChem CID 124975186) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone
PubChem CID124975186
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Namepyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCC(CCc2ccnc(Nc3ccccn3)c2)CC1
InChIInChI=1S/C23H25N5O/c29-23(20-4-3-11-24-17-20)28-14-9-18(10-15-28)6-7-19-8-13-26-22(16-19)27-21-5-1-2-12-25-21/h1-5,8,11-13,16-18H,6-7,9-10,14-15H2,(H,25,26,27)
InChIKeyKWBSJYUHUFNTBG-UHFFFAOYSA-N
XLogP4.10
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 124950139
[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95838117
[3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110267556
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124976357
1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 125000717
pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347312
2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124980911
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 90521151
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone (CID 124975186) is pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone is O=C(c1cccnc1)N1CCC(CCc2ccnc(Nc3ccccn3)c2)CC1.
What is the InChIKey of pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is KWBSJYUHUFNTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(20-4-3-11-24-17-20)28-14-9-18(10-15-28)6-7-19-8-13-26-22(16-19)27-21-5-1-2-12-25-21/h1-5,8,11-13,16-18H,6-7,9-10,14-15H2,(H,25,26,27).
What are the key properties of pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone?
pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 387.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124975186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).