6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C19H31N5O2 — CID 56748549

About 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 56748549) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 56748549
• Molecular Formula: C19H31N5O2
• Molecular Weight: 361.49 g/mol
• Exact Mass: 361.25
• IUPAC Name: 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: CC(C)CN1CCC(CNC(=O)c2ccc(NCC(=O)N(C)C)nc2)C1
• InChI: InChI=1S/C19H31N5O2/c1-14(2)12-24-8-7-15(13-24)9-22-19(26)16-5-6-17(20-10-16)21-11-18(25)23(3)4/h5-6,10,14-15H,7-9,11-13H2,1-4H3,(H,20,21)(H,22,26)
• InChIKey: RNADHTSIPUPAPA-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.49
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 56748549) is 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is CC(C)CN1CCC(CNC(=O)c2ccc(NCC(=O)N(C)C)nc2)C1.

What is the InChIKey of 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The InChIKey is RNADHTSIPUPAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-14(2)12-24-8-7-15(13-24)9-22-19(26)16-5-6-17(20-10-16)21-11-18(25)23(3)4/h5-6,10,14-15H,7-9,11-13H2,1-4H3,(H,20,21)(H,22,26).

What are the key properties of 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(dimethylamino)-2-oxoethyl]amino]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56748549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).