N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine

C32H42N6O3 — CID 170635053

About N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine

N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine (PubChem CID 170635053) has the molecular formula C32H42N6O3 and a molecular weight of 558.73 g/mol. Its IUPAC name is N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine.

Molecular Properties

• Compound Name: N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine
• PubChem CID: 170635053
• Molecular Formula: C32H42N6O3
• Molecular Weight: 558.73 g/mol
• Exact Mass: 558.33
• IUPAC Name: N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine
• SMILES: CCNCC(=O)Nc1cnc(C)c(NC(=O)c2cnc(C)c(/C=C(/c3cccc(CC=O)c3)C(C)C)c2)c1.CNC
• InChI: InChI=1S/C30H35N5O3.C2H7N/c1-6-31-18-29(37)34-26-15-28(21(5)33-17-26)35-30(38)25-13-24(20(4)32-16-25)14-27(19(2)3)23-9-7-8-22(12-23)10-11-36;1-3-2/h7-9,11-17,19,31H,6,10,18H2,1-5H3,(H,34,37)(H,35,38);3H,1-2H3/b27-14+
• InChIKey: IEGCFXPNWSXQDU-RRIBZKRYSA-N
• XLogP: 4.67
• TPSA: 125.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.73
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine?

The IUPAC name of N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine (CID 170635053) is N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine.

What is the SMILES notation for N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine?

The canonical SMILES for N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine is CCNCC(=O)Nc1cnc(C)c(NC(=O)c2cnc(C)c(/C=C(/c3cccc(CC=O)c3)C(C)C)c2)c1.CNC.

What is the InChIKey of N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine?

The InChIKey is IEGCFXPNWSXQDU-RRIBZKRYSA-N. The full InChI is InChI=1S/C30H35N5O3.C2H7N/c1-6-31-18-29(37)34-26-15-28(21(5)33-17-26)35-30(38)25-13-24(20(4)32-16-25)14-27(19(2)3)23-9-7-8-22(12-23)10-11-36;1-3-2/h7-9,11-17,19,31H,6,10,18H2,1-5H3,(H,34,37)(H,35,38);3H,1-2H3/b27-14+;.

What are the key properties of N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine?

N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine has a molecular weight of 558.73 g/mol, XLogP of 4.67, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(ethylamino)acetyl]amino]-2-methyl-3-pyridinyl]-6-methyl-5-[(E)-3-methyl-2-[3-(2-oxoethyl)phenyl]but-1-enyl]pyridine-3-carboxamide;N-methylmethanamine is sourced from PubChem (CID 170635053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).