N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine

C32H34N6 — CID 145246765

About N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine

N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine (PubChem CID 145246765) has the molecular formula C32H34N6 and a molecular weight of 502.67 g/mol. Its IUPAC name is N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine
• PubChem CID: 145246765
• Molecular Formula: C32H34N6
• Molecular Weight: 502.67 g/mol
• Exact Mass: 502.28
• IUPAC Name: N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine
• SMILES: C=C/C=C(/c1cccnc1)c1cc(C(=C)c2cc(-c3cncc(NC(=C)C(C)C)c3)ncc2NC)[nH]c1C
• InChI: InChI=1S/C32H34N6/c1-8-10-27(24-11-9-12-34-16-24)29-15-30(38-23(29)6)21(4)28-14-31(36-19-32(28)33-7)25-13-26(18-35-17-25)37-22(5)20(2)3/h8-20,33,37-38H,1,4-5H2,2-3,6-7H3/b27-10-
• InChIKey: ZGMJNYLRTKSWFF-NCAUGAEKSA-N
• XLogP: 7.48
• TPSA: 78.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.67
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine?

The IUPAC name of N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine (CID 145246765) is N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine.

What is the SMILES notation for N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine?

The canonical SMILES for N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine is C=C/C=C(/c1cccnc1)c1cc(C(=C)c2cc(-c3cncc(NC(=C)C(C)C)c3)ncc2NC)[nH]c1C.

What is the InChIKey of N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine?

The InChIKey is ZGMJNYLRTKSWFF-NCAUGAEKSA-N. The full InChI is InChI=1S/C32H34N6/c1-8-10-27(24-11-9-12-34-16-24)29-15-30(38-23(29)6)21(4)28-14-31(36-19-32(28)33-7)25-13-26(18-35-17-25)37-22(5)20(2)3/h8-20,33,37-38H,1,4-5H2,2-3,6-7H3/b27-10-.

What are the key properties of N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine?

N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine has a molecular weight of 502.67 g/mol, XLogP of 7.48, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-6-[5-(3-methylbut-1-en-2-ylamino)-3-pyridinyl]-4-[1-[5-methyl-4-[(1Z)-1-pyridin-3-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 145246765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).