(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate

C18H24ClN7O — CID 146642179

IUPAC(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate
SMILES[H]/N=C(\Oc1ccnc(C)c1Cl)c1ncc(N2CCC(C)(CN)CC2)nc1N
InChIInChI=1S/C18H24ClN7O/c1-11-14(19)12(3-6-23-11)27-17(22)15-16(21)25-13(9-24-15)26-7-4-18(2,10-20)5-8-26/h3,6,9,22H,4-5,7-8,10,20H2,1-2H3,(H2,21,25)/b22-17-
InChIKeyZLDPGDXKWNLWMG-XLNRJJMWSA-N
MW389.89 g/mol
LogP2.39
Rot. Bonds4

About (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate

(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate (PubChem CID 146642179) has the molecular formula C18H24ClN7O and a molecular weight of 389.89 g/mol. Its IUPAC name is (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate.

Molecular Properties

Compound Name(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate
PubChem CID146642179
Molecular FormulaC18H24ClN7O
Molecular Weight389.89 g/mol
Exact Mass389.17
IUPAC Name(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate
SMILES[H]/N=C(\Oc1ccnc(C)c1Cl)c1ncc(N2CCC(C)(CN)CC2)nc1N
InChIInChI=1S/C18H24ClN7O/c1-11-14(19)12(3-6-23-11)27-17(22)15-16(21)25-13(9-24-15)26-7-4-18(2,10-20)5-8-26/h3,6,9,22H,4-5,7-8,10,20H2,1-2H3,(H2,21,25)/b22-17-
InChIKeyZLDPGDXKWNLWMG-XLNRJJMWSA-N
XLogP2.39
TPSA127.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine
CID 166992583
3-[amino-[(2-amino-3-chloro-4-pyridinyl)oxy]methyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine
CID 142337795
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
4-[[6-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]oxy]-3-chloropyridin-2-amine
CID 134474008
6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine
CID 166992700
4-N-[6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloropyridine-2,4-diamine;dihydrochloride
CID 142484329
3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine
CID 166992696
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
[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine
CID 174250435
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,3-dichloro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-7-amine
CID 157260263
8-[6-amino-5-(3-chloro-2-methylbenzenecarboximidoyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 166992551

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate?
The IUPAC name of (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate (CID 146642179) is (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate.
What is the SMILES notation for (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate?
The canonical SMILES for (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate is [H]/N=C(\Oc1ccnc(C)c1Cl)c1ncc(N2CCC(C)(CN)CC2)nc1N.
What is the InChIKey of (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate?
The InChIKey is ZLDPGDXKWNLWMG-XLNRJJMWSA-N. The full InChI is InChI=1S/C18H24ClN7O/c1-11-14(19)12(3-6-23-11)27-17(22)15-16(21)25-13(9-24-15)26-7-4-18(2,10-20)5-8-26/h3,6,9,22H,4-5,7-8,10,20H2,1-2H3,(H2,21,25)/b22-17-.
What are the key properties of (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate?
(3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate has a molecular weight of 389.89 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate is sourced from PubChem (CID 146642179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).