6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine

C18H25N7 — CID 166992583

IUPAC6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ccncc1C)c1ncc(N2CCC(C)(CN)CC2)nc1N
InChIInChI=1S/C18H25N7/c1-12-9-22-6-3-13(12)15(20)16-17(21)24-14(10-23-16)25-7-4-18(2,11-19)5-8-25/h3,6,9-10,20H,4-5,7-8,11,19H2,1-2H3,(H2,21,24)/b20-15+
InChIKeyZUFWMLATWSWPIL-HMMYKYKNSA-N
MW339.45 g/mol
LogP1.74
Rot. Bonds4

About 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine

6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine (PubChem CID 166992583) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine
PubChem CID166992583
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ccncc1C)c1ncc(N2CCC(C)(CN)CC2)nc1N
InChIInChI=1S/C18H25N7/c1-12-9-22-6-3-13(12)15(20)16-17(21)24-14(10-23-16)25-7-4-18(2,11-19)5-8-25/h3,6,9-10,20H,4-5,7-8,11,19H2,1-2H3,(H2,21,24)/b20-15+
InChIKeyZUFWMLATWSWPIL-HMMYKYKNSA-N
XLogP1.74
TPSA117.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate
CID 146642179
3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine
CID 166992696
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboximidoyl]pyrazin-2-amine
CID 142485004
8-[6-amino-5-(3-chloro-2-methylbenzenecarboximidoyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 166992551
6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine
CID 166992677
8-[6-amino-5-(2-amino-3-chloropyridine-4-carboximidoyl)pyrazin-2-yl]-3-[(Z)-2-aminoethenyl]-2,8-diazaspiro[4.5]dec-2-en-4-amine
CID 165393421
6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene
CID 164860980
6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine
CID 166992700
6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine
CID 142484565
3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 142337795
6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(2,3-dihydrofuro[2,3-b]pyridine-4-carboximidoyl)pyrazin-2-amine
CID 164860450
6-[(1S,6R,7R)-7-(aminomethyl)-7-(3,5-difluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(4-chloro-2-methylindazole-5-carboximidoyl)pyrazin-2-amine
CID 171410226

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine?
The IUPAC name of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine (CID 166992583) is 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine?
The canonical SMILES for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine is [H]/N=C(\c1ccncc1C)c1ncc(N2CCC(C)(CN)CC2)nc1N.
What is the InChIKey of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine?
The InChIKey is ZUFWMLATWSWPIL-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H25N7/c1-12-9-22-6-3-13(12)15(20)16-17(21)24-14(10-23-16)25-7-4-18(2,11-19)5-8-25/h3,6,9-10,20H,4-5,7-8,11,19H2,1-2H3,(H2,21,24)/b20-15+.
What are the key properties of 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine?
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine has a molecular weight of 339.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine is sourced from PubChem (CID 166992583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).