2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one

C19H25N5O — CID 110256273

IUPAC2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(Nc2cnc(C3CCCN(C(=O)C(C)C)C3)cn2)n1
InChIInChI=1S/C19H25N5O/c1-13(2)19(25)24-9-5-7-15(12-24)16-10-21-18(11-20-16)23-17-8-4-6-14(3)22-17/h4,6,8,10-11,13,15H,5,7,9,12H2,1-3H3,(H,21,22,23)
InChIKeyCYKRZBWVDAAKNI-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.29
Rot. Bonds4

About 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 110256273) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID110256273
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(Nc2cnc(C3CCCN(C(=O)C(C)C)C3)cn2)n1
InChIInChI=1S/C19H25N5O/c1-13(2)19(25)24-9-5-7-15(12-24)16-10-21-18(11-20-16)23-17-8-4-6-14(3)22-17/h4,6,8,10-11,13,15H,5,7,9,12H2,1-3H3,(H,21,22,23)
InChIKeyCYKRZBWVDAAKNI-UHFFFAOYSA-N
XLogP3.29
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-(6-methyl-2-pyridinyl)-5-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrazin-2-amine
CID 95823846
2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 95821462
1H-imidazol-5-yl-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 124979263
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814602
[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110255878
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95821107
2-(dimethylamino)-1-[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110252918
2-methyl-1-[(2S)-2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844524
N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95813548
2-(methylamino)-1-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 73439357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 110256273) is 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one is Cc1cccc(Nc2cnc(C3CCCN(C(=O)C(C)C)C3)cn2)n1.
What is the InChIKey of 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is CYKRZBWVDAAKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(2)19(25)24-9-5-7-15(12-24)16-10-21-18(11-20-16)23-17-8-4-6-14(3)22-17/h4,6,8,10-11,13,15H,5,7,9,12H2,1-3H3,(H,21,22,23).
What are the key properties of 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[5-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110256273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).