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

C22H33N7 — CID 142485004

IUPAC6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboximidoyl]pyrazin-2-amine
SMILES[H]/N=C(/c1ncc(N2CCC(C)(CN)CC2)nc1N)N1CCCC(C=C)=C1/C=C\C
InChIInChI=1S/C22H33N7/c1-4-7-17-16(5-2)8-6-11-29(17)21(25)19-20(24)27-18(14-26-19)28-12-9-22(3,15-23)10-13-28/h4-5,7,14,25H,2,6,8-13,15,23H2,1,3H3,(H2,24,27)/b7-4-,25-21-
InChIKeyQDLDKYDKVAOARS-RIQMMNOZSA-N
MW395.56 g/mol
LogP3.06
Rot. Bonds5

About 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

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 (PubChem CID 142485004) has the molecular formula C22H33N7 and a molecular weight of 395.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboximidoyl]pyrazin-2-amine
PubChem CID142485004
Molecular FormulaC22H33N7
Molecular Weight395.56 g/mol
Exact Mass395.28
IUPAC Name6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridine-1-carboximidoyl]pyrazin-2-amine
SMILES[H]/N=C(/c1ncc(N2CCC(C)(CN)CC2)nc1N)N1CCCC(C=C)=C1/C=C\C
InChIInChI=1S/C22H33N7/c1-4-7-17-16(5-2)8-6-11-29(17)21(25)19-20(24)27-18(14-26-19)28-12-9-22(3,15-23)10-13-28/h4-5,7,14,25H,2,6,8-13,15,23H2,1,3H3,(H2,24,27)/b7-4-,25-21-
InChIKeyQDLDKYDKVAOARS-RIQMMNOZSA-N
XLogP3.06
TPSA108.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.56
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
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-chloro-2-methyl-4-pyridinyl) 3-amino-5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazine-2-carboximidate
CID 146642179
2-[5-[3-amino-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboximidoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]acetic acid
CID 142484395
6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine
CID 166992677
6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine
CID 166992700
8-[6-amino-5-(3-chloro-2-methylbenzenecarboximidoyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 166992551
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-(3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-ylsulfanyl)pyrazin-2-amine
CID 167263564
[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160328
[1-[3-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CID 142484325
[4-methyl-1-[3-(5-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 142484397

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]/N=C(/c1ncc(N2CCC(C)(CN)CC2)nc1N)N1CCCC(C=C)=C1/C=C\C.
What is the InChIKey of 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?
The InChIKey is QDLDKYDKVAOARS-RIQMMNOZSA-N. The full InChI is InChI=1S/C22H33N7/c1-4-7-17-16(5-2)8-6-11-29(17)21(25)19-20(24)27-18(14-26-19)28-12-9-22(3,15-23)10-13-28/h4-5,7,14,25H,2,6,8-13,15,23H2,1,3H3,(H2,24,27)/b7-4-,25-21-.
What are the key properties of 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?
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 has a molecular weight of 395.56 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142485004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).