(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine

C23H27N7 — CID 144529562

IUPAC(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine
SMILES[H]/N=C(\c1ccc(C)c(N2CCC[C@@H](N)CC2)n1)c1cc(-c2cccnc2)ncc1N
InChIInChI=1S/C23H27N7/c1-15-6-7-20(29-23(15)30-10-3-5-17(24)8-11-30)22(26)18-12-21(28-14-19(18)25)16-4-2-9-27-13-16/h2,4,6-7,9,12-14,17,26H,3,5,8,10-11,24-25H2,1H3/b26-22-/t17-/m1/s1
InChIKeyRZJTWXGRUHAFNC-LYYOGKFUSA-N
MW401.52 g/mol
LogP3.16
Rot. Bonds4

About (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine

(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine (PubChem CID 144529562) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine.

Molecular Properties

Compound Name(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine
PubChem CID144529562
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine
SMILES[H]/N=C(\c1ccc(C)c(N2CCC[C@@H](N)CC2)n1)c1cc(-c2cccnc2)ncc1N
InChIInChI=1S/C23H27N7/c1-15-6-7-20(29-23(15)30-10-3-5-17(24)8-11-30)22(26)18-12-21(28-14-19(18)25)16-4-2-9-27-13-16/h2,4,6-7,9,12-14,17,26H,3,5,8,10-11,24-25H2,1H3/b26-22-/t17-/m1/s1
InChIKeyRZJTWXGRUHAFNC-LYYOGKFUSA-N
XLogP3.16
TPSA117.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-bromo-2-pyridinyl]azepan-4-amine
CID 123512302
4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
CID 123483708
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
CID 71253612
4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
CID 144529500
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
CID 144529536
(4S)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 71254143
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
CID 123808337
(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 71253468
4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
CID 123860640
4-[6-(3-aminopiperidin-1-yl)-5-cyclopropylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
CID 123415365
4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
CID 89412749

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine?
The IUPAC name of (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine (CID 144529562) is (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine.
What is the SMILES notation for (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine?
The canonical SMILES for (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine is [H]/N=C(\c1ccc(C)c(N2CCC[C@@H](N)CC2)n1)c1cc(-c2cccnc2)ncc1N.
What is the InChIKey of (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine?
The InChIKey is RZJTWXGRUHAFNC-LYYOGKFUSA-N. The full InChI is InChI=1S/C23H27N7/c1-15-6-7-20(29-23(15)30-10-3-5-17(24)8-11-30)22(26)18-12-21(28-14-19(18)25)16-4-2-9-27-13-16/h2,4,6-7,9,12-14,17,26H,3,5,8,10-11,24-25H2,1H3/b26-22-/t17-/m1/s1.
What are the key properties of (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine?
(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine has a molecular weight of 401.52 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine is sourced from PubChem (CID 144529562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).