6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine

C21H30N8 — CID 142484565

IUPAC6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ncc(N2CCC(C)([C@H](C)N)CC2)nc1N)N1CCCc2ncccc21
InChIInChI=1S/C21H30N8/c1-14(22)21(2)7-11-28(12-8-21)17-13-26-18(19(23)27-17)20(24)29-10-4-5-15-16(29)6-3-9-25-15/h3,6,9,13-14,24H,4-5,7-8,10-12,22H2,1-2H3,(H2,23,27)/b24-20+/t14-/m0/s1
InChIKeyKFMXMUDXFVKTIS-VSSLKNPCSA-N
MW394.53 g/mol
LogP2.19
Rot. Bonds3

About 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine

6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine (PubChem CID 142484565) has the molecular formula C21H30N8 and a molecular weight of 394.53 g/mol. Its IUPAC name is 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine
PubChem CID142484565
Molecular FormulaC21H30N8
Molecular Weight394.53 g/mol
Exact Mass394.26
IUPAC Name6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\c1ncc(N2CCC(C)([C@H](C)N)CC2)nc1N)N1CCCc2ncccc21
InChIInChI=1S/C21H30N8/c1-14(22)21(2)7-11-28(12-8-21)17-13-26-18(19(23)27-17)20(24)29-10-4-5-15-16(29)6-3-9-25-15/h3,6,9,13-14,24H,4-5,7-8,10-12,22H2,1-2H3,(H2,23,27)/b24-20+/t14-/m0/s1
InChIKeyKFMXMUDXFVKTIS-VSSLKNPCSA-N
XLogP2.19
TPSA121.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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
1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 159724926
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylpyridine-4-carboximidoyl)pyrazin-2-amine
CID 166992583
6-(8-azaspiro[4.5]decan-8-yl)-3-(4-chloro-3-methoxybenzenecarboximidoyl)pyrazin-2-amine
CID 166992700
6-(8-azaspiro[4.5]decan-8-yl)-3-(3,4-dichlorobenzenecarboximidoyl)pyrazin-2-amine
CID 166992677
8-[6-amino-5-(3-chloro-2-methylbenzenecarboximidoyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 166992551
3-(2-chloro-3-methylbenzenecarboximidoyl)-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine
CID 166992696
(3R)-7-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 135388355
(3S)-7-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-7-azaspiro[3.5]nonan-3-amine
CID 135388147
1-[1-[1-(2-methylbut-2-enoxy)cyclopropyl]ethenyl]-3,4-dihydro-2H-1,5-naphthyridine
CID 123875744
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
CID 95157678

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine?
The IUPAC name of 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine (CID 142484565) is 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine.
What is the SMILES notation for 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine?
The canonical SMILES for 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine is [H]/N=C(\c1ncc(N2CCC(C)([C@H](C)N)CC2)nc1N)N1CCCc2ncccc21.
What is the InChIKey of 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine?
The InChIKey is KFMXMUDXFVKTIS-VSSLKNPCSA-N. The full InChI is InChI=1S/C21H30N8/c1-14(22)21(2)7-11-28(12-8-21)17-13-26-18(19(23)27-17)20(24)29-10-4-5-15-16(29)6-3-9-25-15/h3,6,9,13-14,24H,4-5,7-8,10-12,22H2,1-2H3,(H2,23,27)/b24-20+/t14-/m0/s1.
What are the key properties of 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine?
6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine has a molecular weight of 394.53 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-(3,4-dihydro-2H-1,5-naphthyridine-1-carboximidoyl)pyrazin-2-amine is sourced from PubChem (CID 142484565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).