4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine

C24H30N8O — CID 144529500

IUPAC4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
SMILESCNC.[H]/N=C(\c1cccc(N2CCC(N)(C=O)CC2)n1)c1cc(-c2cccnc2)ncc1N
InChIInChI=1S/C22H23N7O.C2H7N/c23-17-13-27-19(15-3-2-8-26-12-15)11-16(17)21(24)18-4-1-5-20(28-18)29-9-6-22(25,14-30)7-10-29;1-3-2/h1-5,8,11-14,24H,6-7,9-10,23,25H2;3H,1-2H3/b24-21-;
InChIKeyFFLJVSBHPZRPPJ-KKPJOBIBSA-N
MW446.56 g/mol
LogP1.87
Rot. Bonds5

About 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine

4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine (PubChem CID 144529500) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine.

Molecular Properties

Compound Name4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
PubChem CID144529500
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
SMILESCNC.[H]/N=C(\c1cccc(N2CCC(N)(C=O)CC2)n1)c1cc(-c2cccnc2)ncc1N
InChIInChI=1S/C22H23N7O.C2H7N/c23-17-13-27-19(15-3-2-8-26-12-15)11-16(17)21(24)18-4-1-5-20(28-18)29-9-6-22(25,14-30)7-10-29;1-3-2/h1-5,8,11-14,24H,6-7,9-10,23,25H2;3H,1-2H3/b24-21-;
InChIKeyFFLJVSBHPZRPPJ-KKPJOBIBSA-N
XLogP1.87
TPSA146.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 123997725
4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
CID 89412749
(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine
CID 144529562
1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-bromo-2-pyridinyl]azepan-4-amine
CID 123512302
1-[[6-[5-amino-2-(1-methylpyrazol-4-yl)pyridine-4-carboximidoyl]-2-pyridinyl]amino]-2-methylpropan-2-ol
CID 89412710
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
CID 144529536
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
CID 123808337
methanol;2-[6-(4-methylsulfanylpiperazin-1-yl)pyrimidine-4-carboximidoyl]-4-pyridin-3-ylaniline
CID 144697138
1-[[2-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-3-iminopropylidene]amino]-2-methylpropan-2-ol
CID 123193138
[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739670
4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine
CID 123651554

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine?
The IUPAC name of 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine (CID 144529500) is 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine.
What is the SMILES notation for 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine?
The canonical SMILES for 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine is CNC.[H]/N=C(\c1cccc(N2CCC(N)(C=O)CC2)n1)c1cc(-c2cccnc2)ncc1N.
What is the InChIKey of 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine?
The InChIKey is FFLJVSBHPZRPPJ-KKPJOBIBSA-N. The full InChI is InChI=1S/C22H23N7O.C2H7N/c23-17-13-27-19(15-3-2-8-26-12-15)11-16(17)21(24)18-4-1-5-20(28-18)29-9-6-22(25,14-30)7-10-29;1-3-2/h1-5,8,11-14,24H,6-7,9-10,23,25H2;3H,1-2H3/b24-21-;.
What are the key properties of 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine?
4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine has a molecular weight of 446.56 g/mol, XLogP of 1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine is sourced from PubChem (CID 144529500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).