2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone

C18H18N6O — CID 58448836

IUPAC2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2ccnc(CNc3cccnc3N)c2)cn1
InChIInChI=1S/C18H18N6O/c1-12-9-23-16(11-22-12)17(25)8-13-4-6-20-14(7-13)10-24-15-3-2-5-21-18(15)19/h2-7,9,11,24H,8,10H2,1H3,(H2,19,21)
InChIKeyBMBBAZLJMIINKK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.19
Rot. Bonds6

About 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone

2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 58448836) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID58448836
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2ccnc(CNc3cccnc3N)c2)cn1
InChIInChI=1S/C18H18N6O/c1-12-9-23-16(11-22-12)17(25)8-13-4-6-20-14(7-13)10-24-15-3-2-5-21-18(15)19/h2-7,9,11,24H,8,10H2,1H3,(H2,19,21)
InChIKeyBMBBAZLJMIINKK-UHFFFAOYSA-N
XLogP2.19
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone
CID 58448444
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylfuran-2-yl)ethanone
CID 58448491
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(2-isocyanoimidazo[1,2-a]pyrazin-6-yl)ethanone
CID 58449119
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(5-methylsulfanylpyrazin-2-yl)ethanone
CID 58449335
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(3-isocyano-1-methylpyrazol-5-yl)ethanone
CID 58448818
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-[5-(1H-pyrrol-2-yl)pyrazin-2-yl]ethanone
CID 58448510
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-[5-(propan-2-ylideneamino)oxypyrazin-2-yl]ethanone
CID 58448942
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone
CID 58448620
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-[(Z)-but-1-enyl]pyrazin-2-yl]ethanone
CID 58448562
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
CID 58448651
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethanone
CID 58449002
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 58448614

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone (CID 58448836) is 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)Cc2ccnc(CNc3cccnc3N)c2)cn1.
What is the InChIKey of 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is BMBBAZLJMIINKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-9-23-16(11-22-12)17(25)8-13-4-6-20-14(7-13)10-24-15-3-2-5-21-18(15)19/h2-7,9,11,24H,8,10H2,1H3,(H2,19,21).
What are the key properties of 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone?
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 334.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 58448836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).