N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine

C32H38N6 — CID 142333605

About N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine

N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine (PubChem CID 142333605) has the molecular formula C32H38N6 and a molecular weight of 506.70 g/mol. Its IUPAC name is N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine
• PubChem CID: 142333605
• Molecular Formula: C32H38N6
• Molecular Weight: 506.70 g/mol
• Exact Mass: 506.32
• IUPAC Name: N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine
• SMILES: [H]/N=C(\C(=C)Nc1ccc(C(=C)N2CCCC2)nc1)c1cc(-c2cncc(CN3CCCCC3)c2)ccc1C
• InChI: InChI=1S/C32H38N6/c1-23-9-10-27(28-17-26(19-34-20-28)22-37-13-5-4-6-14-37)18-30(23)32(33)24(2)36-29-11-12-31(35-21-29)25(3)38-15-7-8-16-38/h9-12,17-21,33,36H,2-8,13-16,22H2,1H3/b33-32+
• InChIKey: PMZGGDSPICKLDZ-ULIFNZDWSA-N
• XLogP: 6.50
• TPSA: 68.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.70
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine?

The IUPAC name of N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine (CID 142333605) is N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine.

What is the SMILES notation for N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine?

The canonical SMILES for N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine is [H]/N=C(\C(=C)Nc1ccc(C(=C)N2CCCC2)nc1)c1cc(-c2cncc(CN3CCCCC3)c2)ccc1C.

What is the InChIKey of N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine?

The InChIKey is PMZGGDSPICKLDZ-ULIFNZDWSA-N. The full InChI is InChI=1S/C32H38N6/c1-23-9-10-27(28-17-26(19-34-20-28)22-37-13-5-4-6-14-37)18-30(23)32(33)24(2)36-29-11-12-31(35-21-29)25(3)38-15-7-8-16-38/h9-12,17-21,33,36H,2-8,13-16,22H2,1H3/b33-32+.

What are the key properties of N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine?

N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine has a molecular weight of 506.70 g/mol, XLogP of 6.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-imino-3-[2-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]phenyl]prop-1-en-2-yl]-6-(1-pyrrolidin-1-ylethenyl)pyridin-3-amine is sourced from PubChem (CID 142333605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).