N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide

C24H28N6O — CID 167512139

About N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide

N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide (PubChem CID 167512139) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 167512139
• Molecular Formula: C24H28N6O
• Molecular Weight: 416.53 g/mol
• Exact Mass: 416.23
• IUPAC Name: N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
• SMILES: [H]/N=c1\cc(C)ccn1CCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=C)C)c1
• InChI: InChI=1S/C24H28N6O/c1-16(2)28-21-14-19(15-27-23(21)29-20-8-6-5-7-18(20)4)24(31)26-10-12-30-11-9-17(3)13-22(30)25/h5-9,11,13-15,25,28H,1,10,12H2,2-4H3,(H,26,31)(H,27,29)/b25-22+
• InChIKey: IIFLFMFSSJLTPV-YYDJUVGSSA-N
• XLogP: 4.10
• TPSA: 94.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.53
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide (CID 167512139) is N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide is [H]/N=c1\cc(C)ccn1CCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=C)C)c1.

What is the InChIKey of N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide?

The InChIKey is IIFLFMFSSJLTPV-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H28N6O/c1-16(2)28-21-14-19(15-27-23(21)29-20-8-6-5-7-18(20)4)24(31)26-10-12-30-11-9-17(3)13-22(30)25/h5-9,11,13-15,25,28H,1,10,12H2,2-4H3,(H,26,31)(H,27,29)/b25-22+.

What are the key properties of N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide?

N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.10, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-imino-4-methyl-1-pyridinyl)ethyl]-6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 167512139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).