2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

C19H26N6O — CID 124976357

IUPAC2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1
InChIInChI=1S/C19H26N6O/c1-20-14-18(26)25-11-6-15(7-12-25)3-4-16-5-10-21-17(13-16)24-19-22-8-2-9-23-19/h2,5,8-10,13,15,20H,3-4,6-7,11-12,14H2,1H3,(H,21,22,23,24)
InChIKeyLEWIKUCIRJKTLF-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.01
Rot. Bonds7

About 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (PubChem CID 124976357) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
PubChem CID124976357
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1
InChIInChI=1S/C19H26N6O/c1-20-14-18(26)25-11-6-15(7-12-25)3-4-16-5-10-21-17(13-16)24-19-22-8-2-9-23-19/h2,5,8-10,13,15,20H,3-4,6-7,11-12,14H2,1H3,(H,21,22,23,24)
InChIKeyLEWIKUCIRJKTLF-UHFFFAOYSA-N
XLogP2.01
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124980911
2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 95842851
1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 125000717
2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124967872
pyridin-3-yl-[4-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 124975186
N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 125009624
N-[4-[2-[1-(2-methoxyacetyl)piperidin-4-yl]ethyl]-2-pyridinyl]cyclopentanecarboxamide
CID 124939994
N-[4-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 124950139
3-methyl-1-[4-[[6-(pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one
CID 95822158
tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
CID 66509368
2-(methylamino)-1-[4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110095876
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (CID 124976357) is 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is CNCC(=O)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is LEWIKUCIRJKTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-20-14-18(26)25-11-6-15(7-12-25)3-4-16-5-10-21-17(13-16)24-19-22-8-2-9-23-19/h2,5,8-10,13,15,20H,3-4,6-7,11-12,14H2,1H3,(H,21,22,23,24).
What are the key properties of 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 354.46 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124976357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).