N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide

C20H22FN7O — CID 145234574

About N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide

N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 145234574) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 145234574
• Molecular Formula: C20H22FN7O
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.19
• IUPAC Name: N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
• SMILES: C=Nc1c(N(C)C)cc(Nc2cnc(C#N)cc2CC)nc1NC(=O)C1CC1F
• InChI: InChI=1S/C20H22FN7O/c1-5-11-6-12(9-22)24-10-15(11)25-17-8-16(28(3)4)18(23-2)19(26-17)27-20(29)13-7-14(13)21/h6,8,10,13-14H,2,5,7H2,1,3-4H3,(H2,25,26,27,29)
• InChIKey: JNABKJNSVAOBMP-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 106.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide (CID 145234574) is N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide is C=Nc1c(N(C)C)cc(Nc2cnc(C#N)cc2CC)nc1NC(=O)C1CC1F.

What is the InChIKey of N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is JNABKJNSVAOBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-5-11-6-12(9-22)24-10-15(11)25-17-8-16(28(3)4)18(23-2)19(26-17)27-20(29)13-7-14(13)21/h6,8,10,13-14H,2,5,7H2,1,3-4H3,(H2,25,26,27,29).

What are the key properties of N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide?

N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(6-cyano-4-ethyl-3-pyridinyl)amino]-4-(dimethylamino)-3-(methylideneamino)-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 145234574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).