2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

C20H27N5O — CID 124980911

IUPAC2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCc1cccnc1Nc1cc(CCC2CCN(C(=O)CN)CC2)ccn1
InChIInChI=1S/C20H27N5O/c1-15-3-2-9-23-20(15)24-18-13-17(6-10-22-18)5-4-16-7-11-25(12-8-16)19(26)14-21/h2-3,6,9-10,13,16H,4-5,7-8,11-12,14,21H2,1H3,(H,22,23,24)
InChIKeyMMIXXKTVDBEOKY-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.66
Rot. Bonds6

About 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone

2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (PubChem CID 124980911) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
PubChem CID124980911
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
SMILESCc1cccnc1Nc1cc(CCC2CCN(C(=O)CN)CC2)ccn1
InChIInChI=1S/C20H27N5O/c1-15-3-2-9-23-20(15)24-18-13-17(6-10-22-18)5-4-16-7-11-25(12-8-16)19(26)14-21/h2-3,6,9-10,13,16H,4-5,7-8,11-12,14,21H2,1H3,(H,22,23,24)
InChIKeyMMIXXKTVDBEOKY-UHFFFAOYSA-N
XLogP2.66
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

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-[2-[2-(pyridin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 124975186
2-methoxy-1-[4-[2-[2-[[6-(methylamino)pyrimidin-4-yl]amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 124967872
N-[4-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 124950139
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
tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
CID 66509368
2-(methylamino)-1-[(3R)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 95842851
3-(1-methylpyrazol-4-yl)-1-[4-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 171147335
[(3S)-3-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95838117
1-[3-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 132764396

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone (CID 124980911) is 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is Cc1cccnc1Nc1cc(CCC2CCN(C(=O)CN)CC2)ccn1.
What is the InChIKey of 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is MMIXXKTVDBEOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-3-2-9-23-20(15)24-18-13-17(6-10-22-18)5-4-16-7-11-25(12-8-16)19(26)14-21/h2-3,6,9-10,13,16H,4-5,7-8,11-12,14,21H2,1H3,(H,22,23,24).
What are the key properties of 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone?
2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-[2-[(3-methyl-2-pyridinyl)amino]-4-pyridinyl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124980911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).