3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine

C24H29N9 — CID 139333461

IUPAC3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine
SMILES[H]/N=C/c1c(NC)cccc1-c1cnc(N)c(C(=C)Nc2ncccc2N2CCC(N)CC2)n1
InChIInChI=1S/C24H29N9/c1-15(31-24-21(7-4-10-29-24)33-11-8-16(26)9-12-33)22-23(27)30-14-20(32-22)17-5-3-6-19(28-2)18(17)13-25/h3-7,10,13-14,16,25,28H,1,8-9,11-12,26H2,2H3,(H2,27,30)(H,29,31)/b25-13+
InChIKeyRTNGDVZWJBBEFK-DHRITJCHSA-N
MW443.56 g/mol
LogP3.17
Rot. Bonds7

About 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine

3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine (PubChem CID 139333461) has the molecular formula C24H29N9 and a molecular weight of 443.56 g/mol. Its IUPAC name is 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine
PubChem CID139333461
Molecular FormulaC24H29N9
Molecular Weight443.56 g/mol
Exact Mass443.25
IUPAC Name3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine
SMILES[H]/N=C/c1c(NC)cccc1-c1cnc(N)c(C(=C)Nc2ncccc2N2CCC(N)CC2)n1
InChIInChI=1S/C24H29N9/c1-15(31-24-21(7-4-10-29-24)33-11-8-16(26)9-12-33)22-23(27)30-14-20(32-22)17-5-3-6-19(28-2)18(17)13-25/h3-7,10,13-14,16,25,28H,1,8-9,11-12,26H2,2H3,(H2,27,30)(H,29,31)/b25-13+
InChIKeyRTNGDVZWJBBEFK-DHRITJCHSA-N
XLogP3.17
TPSA141.86 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine with MolForge

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Related Compounds

Fanotaprim
CID 134812633
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
8-Methyl-6-(4-methyl-1-piperazinyl)-11H-pyrido(2,3-b)(1,4)benzodiazepine
CID 3802
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6c
CID 5328346
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6d
CID 5328347
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine?
The IUPAC name of 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine (CID 139333461) is 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine is [H]/N=C/c1c(NC)cccc1-c1cnc(N)c(C(=C)Nc2ncccc2N2CCC(N)CC2)n1.
What is the InChIKey of 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine?
The InChIKey is RTNGDVZWJBBEFK-DHRITJCHSA-N. The full InChI is InChI=1S/C24H29N9/c1-15(31-24-21(7-4-10-29-24)33-11-8-16(26)9-12-33)22-23(27)30-14-20(32-22)17-5-3-6-19(28-2)18(17)13-25/h3-7,10,13-14,16,25,28H,1,8-9,11-12,26H2,2H3,(H2,27,30)(H,29,31)/b25-13+.
What are the key properties of 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine?
3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine has a molecular weight of 443.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(4-aminopiperidin-1-yl)-2-pyridinyl]amino]ethenyl]-5-[2-methanimidoyl-3-(methylamino)phenyl]pyrazin-2-amine is sourced from PubChem (CID 139333461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).