6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine

C21H35N5 — CID 88960540

IUPAC6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine
SMILES[H]/N=C(\CCCN1CCCC1)c1ccc(N2CCCCCCC2)nc1NC
InChIInChI=1S/C21H35N5/c1-23-21-18(19(22)10-9-15-25-13-7-8-14-25)11-12-20(24-21)26-16-5-3-2-4-6-17-26/h11-12,22H,2-10,13-17H2,1H3,(H,23,24)/b22-19+
InChIKeyBHWWCQAEFWSTHH-ZBJSNUHESA-N
MW357.55 g/mol
LogP4.14
Rot. Bonds7

About 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine

6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine (PubChem CID 88960540) has the molecular formula C21H35N5 and a molecular weight of 357.55 g/mol. Its IUPAC name is 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine
PubChem CID88960540
Molecular FormulaC21H35N5
Molecular Weight357.55 g/mol
Exact Mass357.29
IUPAC Name6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine
SMILES[H]/N=C(\CCCN1CCCC1)c1ccc(N2CCCCCCC2)nc1NC
InChIInChI=1S/C21H35N5/c1-23-21-18(19(22)10-9-15-25-13-7-8-14-25)11-12-20(24-21)26-16-5-3-2-4-6-17-26/h11-12,22H,2-10,13-17H2,1H3,(H,23,24)/b22-19+
InChIKeyBHWWCQAEFWSTHH-ZBJSNUHESA-N
XLogP4.14
TPSA55.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine?
The IUPAC name of 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine (CID 88960540) is 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine.
What is the SMILES notation for 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine?
The canonical SMILES for 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine is [H]/N=C(\CCCN1CCCC1)c1ccc(N2CCCCCCC2)nc1NC.
What is the InChIKey of 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine?
The InChIKey is BHWWCQAEFWSTHH-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H35N5/c1-23-21-18(19(22)10-9-15-25-13-7-8-14-25)11-12-20(24-21)26-16-5-3-2-4-6-17-26/h11-12,22H,2-10,13-17H2,1H3,(H,23,24)/b22-19+.
What are the key properties of 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine?
6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine has a molecular weight of 357.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-yl)-N-methyl-3-(4-pyrrolidin-1-ylbutanimidoyl)pyridin-2-amine is sourced from PubChem (CID 88960540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).