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

C23H30N8 — CID 123415365

IUPAC4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
SMILES[H]/N=C(\c1ccc(C2CC2)c(N2CCCC(N)C2)n1)c1cc(C(/C=N/[H])/C=N/C)ncc1N
InChIInChI=1S/C23H30N8/c1-28-11-15(10-24)21-9-18(19(26)12-29-21)22(27)20-7-6-17(14-4-5-14)23(30-20)31-8-2-3-16(25)13-31/h6-7,9-12,14-16,24,27H,2-5,8,13,25-26H2,1H3/b24-10+,27-22-,28-11+
InChIKeyZCWGCGWIGYHGBB-SBXBCDPLSA-N
MW418.55 g/mol
LogP2.71
Rot. Bonds7

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

4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine (PubChem CID 123415365) has the molecular formula C23H30N8 and a molecular weight of 418.55 g/mol. Its IUPAC name is 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
PubChem CID123415365
Molecular FormulaC23H30N8
Molecular Weight418.55 g/mol
Exact Mass418.26
IUPAC Name4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
SMILES[H]/N=C(\c1ccc(C2CC2)c(N2CCCC(N)C2)n1)c1cc(C(/C=N/[H])/C=N/C)ncc1N
InChIInChI=1S/C23H30N8/c1-28-11-15(10-24)21-9-18(19(26)12-29-21)22(27)20-7-6-17(14-4-5-14)23(30-20)31-8-2-3-16(25)13-31/h6-7,9-12,14-16,24,27H,2-5,8,13,25-26H2,1H3/b24-10+,27-22-,28-11+
InChIKeyZCWGCGWIGYHGBB-SBXBCDPLSA-N
XLogP2.71
TPSA141.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[6-[5-amino-2-(1-imino-3-methyliminopropan-2-yl)pyridine-4-carboximidoyl]-2-pyridinyl]azepan-3-amine
CID 123180691
4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
CID 123483708
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
1-[[2-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-3-iminopropylidene]amino]-2-methylpropan-2-ol
CID 123193138
(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
2-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4-carboximidoyl]-4-(1-imino-3-methyliminopropan-2-yl)aniline
CID 123487503
1-(4-propan-2-ylpyrimidin-2-yl)piperidin-3-amine
CID 83838028
1-(3-aminopiperidin-1-yl)isoquinoline-3-carboxylic acid
CID 61404040
4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine
CID 123651554
1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-3-amine
CID 112638532
1-(5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)piperidin-3-amine
CID 83837795

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine?
The IUPAC name of 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine (CID 123415365) is 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine?
The canonical SMILES for 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine is [H]/N=C(\c1ccc(C2CC2)c(N2CCCC(N)C2)n1)c1cc(C(/C=N/[H])/C=N/C)ncc1N.
What is the InChIKey of 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine?
The InChIKey is ZCWGCGWIGYHGBB-SBXBCDPLSA-N. The full InChI is InChI=1S/C23H30N8/c1-28-11-15(10-24)21-9-18(19(26)12-29-21)22(27)20-7-6-17(14-4-5-14)23(30-20)31-8-2-3-16(25)13-31/h6-7,9-12,14-16,24,27H,2-5,8,13,25-26H2,1H3/b24-10+,27-22-,28-11+.
What are the key properties of 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine?
4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine has a molecular weight of 418.55 g/mol, XLogP of 2.71, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 123415365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).