3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C26H34N6O2 — CID 134525469

IUPAC3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILES[H]/N=C/c1cnc(C2=CCN(C(=O)CCN(C)C)CC2)cc1C(=C)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C26H34N6O2/c1-17-12-18(2)30-26(34)23(17)16-28-19(3)22-13-24(29-15-21(22)14-27)20-6-10-32(11-7-20)25(33)8-9-31(4)5/h6,12-15,27-28H,3,7-11,16H2,1-2,4-5H3,(H,30,34)/b27-14+
InChIKeyNUJXYAMQUKUBCV-MZJWZYIUSA-N
MW462.60 g/mol
LogP2.71
Rot. Bonds9

About 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 134525469) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID134525469
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILES[H]/N=C/c1cnc(C2=CCN(C(=O)CCN(C)C)CC2)cc1C(=C)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C26H34N6O2/c1-17-12-18(2)30-26(34)23(17)16-28-19(3)22-13-24(29-15-21(22)14-27)20-6-10-32(11-7-20)25(33)8-9-31(4)5/h6,12-15,27-28H,3,7-11,16H2,1-2,4-5H3,(H,30,34)/b27-14+
InChIKeyNUJXYAMQUKUBCV-MZJWZYIUSA-N
XLogP2.71
TPSA105.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 134525469) is 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is [H]/N=C/c1cnc(C2=CCN(C(=O)CCN(C)C)CC2)cc1C(=C)NCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is NUJXYAMQUKUBCV-MZJWZYIUSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-17-12-18(2)30-26(34)23(17)16-28-19(3)22-13-24(29-15-21(22)14-27)20-6-10-32(11-7-20)25(33)8-9-31(4)5/h6,12-15,27-28H,3,7-11,16H2,1-2,4-5H3,(H,30,34)/b27-14+.
What are the key properties of 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 462.60 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-[1-[3-(dimethylamino)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methanimidoyl-4-pyridinyl]ethenylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 134525469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).