N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine

C34H47N5O3 — CID 144610763

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine (PubChem CID 144610763) has the molecular formula C34H47N5O3 and a molecular weight of 573.78 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine
• PubChem CID: 144610763
• Molecular Formula: C34H47N5O3
• Molecular Weight: 573.78 g/mol
• Exact Mass: 573.37
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine
• SMILES: CCN(c1cc(-c2ccc(CN3CCCC3)nc2)cc(C)c1C)C1CCOCC1.Cc1cc(C)c(CNC=O)c(=O)[nH]1
• InChI: InChI=1S/C25H35N3O.C9H12N2O2/c1-4-28(24-9-13-29-14-10-24)25-16-22(15-19(2)20(25)3)21-7-8-23(26-17-21)18-27-11-5-6-12-27;1-6-3-7(2)11-9(13)8(6)4-10-5-12/h7-8,15-17,24H,4-6,9-14,18H2,1-3H3;3,5H,4H2,1-2H3,(H,10,12)(H,11,13)
• InChIKey: QIWFPHNMVXBWKF-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.78
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine (CID 144610763) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine is CCN(c1cc(-c2ccc(CN3CCCC3)nc2)cc(C)c1C)C1CCOCC1.Cc1cc(C)c(CNC=O)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine?

The InChIKey is QIWFPHNMVXBWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O.C9H12N2O2/c1-4-28(24-9-13-29-14-10-24)25-16-22(15-19(2)20(25)3)21-7-8-23(26-17-21)18-27-11-5-6-12-27;1-6-3-7(2)11-9(13)8(6)4-10-5-12/h7-8,15-17,24H,4-6,9-14,18H2,1-3H3;3,5H,4H2,1-2H3,(H,10,12)(H,11,13).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine has a molecular weight of 573.78 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]formamide;N-[2,3-dimethyl-5-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]phenyl]-N-ethyloxan-4-amine is sourced from PubChem (CID 144610763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).