2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine

C17H21N7 — CID 88882235

IUPAC2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine
SMILESC#Cc1cnc(Nc2cc(NC3CCN(C)CC3)c(N)cn2)cn1
InChIInChI=1S/C17H21N7/c1-3-12-9-20-17(11-19-12)23-16-8-15(14(18)10-21-16)22-13-4-6-24(2)7-5-13/h1,8-11,13H,4-7,18H2,2H3,(H2,20,21,22,23)
InChIKeyBYSHCXYIZDWBBQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.68
Rot. Bonds4

About 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine

2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine (PubChem CID 88882235) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine.

Molecular Properties

Compound Name2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine
PubChem CID88882235
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine
SMILESC#Cc1cnc(Nc2cc(NC3CCN(C)CC3)c(N)cn2)cn1
InChIInChI=1S/C17H21N7/c1-3-12-9-20-17(11-19-12)23-16-8-15(14(18)10-21-16)22-13-4-6-24(2)7-5-13/h1,8-11,13H,4-7,18H2,2H3,(H2,20,21,22,23)
InChIKeyBYSHCXYIZDWBBQ-UHFFFAOYSA-N
XLogP1.68
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613364
2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine
CID 88882255
5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613456
5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine
CID 59613548
tert-butyl 4-[[[5-amino-2-[(5-cyanopyrazin-2-yl)amino]-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 59613544
methyl 4-(cyclohexylmethylamino)-6-[(5-ethynylpyrazin-2-yl)amino]pyridine-3-carboxylate
CID 159692284
4-bromo-5-fluoro-1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 66111099
2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrol-1-ylpyridine-2,4-diamine
CID 88882259
6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
CID 43621313
5-methyl-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,4-diamine
CID 83266421
2-N-(1-methylpiperidin-4-yl)pyridine-2,3-diamine
CID 21050456
2-N-(1-methylpiperidin-4-yl)pyrazine-2,6-diamine
CID 80648000

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine?
The IUPAC name of 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine (CID 88882235) is 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine.
What is the SMILES notation for 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine?
The canonical SMILES for 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine is C#Cc1cnc(Nc2cc(NC3CCN(C)CC3)c(N)cn2)cn1.
What is the InChIKey of 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine?
The InChIKey is BYSHCXYIZDWBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-3-12-9-20-17(11-19-12)23-16-8-15(14(18)10-21-16)22-13-4-6-24(2)7-5-13/h1,8-11,13H,4-7,18H2,2H3,(H2,20,21,22,23).
What are the key properties of 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine?
2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine has a molecular weight of 323.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine is sourced from PubChem (CID 88882235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).