4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine

C21H28N8 — CID 123483708

IUPAC4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
SMILES[H]/N=C\C(/C=N/C)c1cc(/C(=N/[H])c2ccc(C)c(N3CCC(N)CC3)n2)c(N)cn1
InChIInChI=1S/C21H28N8/c1-13-3-4-18(28-21(13)29-7-5-15(23)6-8-29)20(25)16-9-19(27-12-17(16)24)14(10-22)11-26-2/h3-4,9-12,14-15,22,25H,5-8,23-24H2,1-2H3/b22-10-,25-20-,26-11+
InChIKeyUDYWIYONBJZRJR-ZNBSQFIXSA-N
MW392.51 g/mol
LogP2.14
Rot. Bonds6

About 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine

4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine (PubChem CID 123483708) has the molecular formula C21H28N8 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
PubChem CID123483708
Molecular FormulaC21H28N8
Molecular Weight392.51 g/mol
Exact Mass392.24
IUPAC Name4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
SMILES[H]/N=C\C(/C=N/C)c1cc(/C(=N/[H])c2ccc(C)c(N3CCC(N)CC3)n2)c(N)cn1
InChIInChI=1S/C21H28N8/c1-13-3-4-18(28-21(13)29-7-5-15(23)6-8-29)20(25)16-9-19(27-12-17(16)24)14(10-22)11-26-2/h3-4,9-12,14-15,22,25H,5-8,23-24H2,1-2H3/b22-10-,25-20-,26-11+
InChIKeyUDYWIYONBJZRJR-ZNBSQFIXSA-N
XLogP2.14
TPSA141.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[6-[5-amino-2-(1-imino-3-methyliminopropan-2-yl)pyridine-4-carboximidoyl]-3-methyl-2-pyridinyl]azetidin-3-yl]piperazin-2-one
CID 123983072
4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
CID 123415365
1-[6-[5-amino-2-(1-imino-3-methyliminopropan-2-yl)pyridine-4-carboximidoyl]-2-pyridinyl]azepan-3-amine
CID 123180691
(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine
CID 144529562
6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine
CID 123749644
1-[[2-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-3-iminopropylidene]amino]-2-methylpropan-2-ol
CID 123193138
N-[6-[5-amino-2-(1-ethylimino-3-iminopropan-2-yl)pyridine-4-carboximidoyl]-2-pyridinyl]azepan-3-amine
CID 123722510
1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-bromo-2-pyridinyl]azepan-4-amine
CID 123512302
2-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4-carboximidoyl]-4-(1-imino-3-methyliminopropan-2-yl)aniline
CID 123487503
1-[[5-[5-amino-2-(1-ethylimino-3-iminopropan-2-yl)pyridine-4-carboximidoyl]-2-oxo-1-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 123806803
4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine
CID 123651554
6-(1-imino-3-methyliminopropan-2-yl)-2-(4-methylphenyl)pyridin-3-ol
CID 91284942

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine?
The IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine (CID 123483708) is 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine?
The canonical SMILES for 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine is [H]/N=C\C(/C=N/C)c1cc(/C(=N/[H])c2ccc(C)c(N3CCC(N)CC3)n2)c(N)cn1.
What is the InChIKey of 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine?
The InChIKey is UDYWIYONBJZRJR-ZNBSQFIXSA-N. The full InChI is InChI=1S/C21H28N8/c1-13-3-4-18(28-21(13)29-7-5-15(23)6-8-29)20(25)16-9-19(27-12-17(16)24)14(10-22)11-26-2/h3-4,9-12,14-15,22,25H,5-8,23-24H2,1-2H3/b22-10-,25-20-,26-11+.
What are the key properties of 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine?
4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine has a molecular weight of 392.51 g/mol, XLogP of 2.14, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 123483708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).