N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide

C29H34N4O4 — CID 175093828

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide (PubChem CID 175093828) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide
• PubChem CID: 175093828
• Molecular Formula: C29H34N4O4
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.26
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide
• SMILES: C=CC(=O)NN(Cc1c(C)cc(C)[nH]c1=O)C(=O)C1C=C(c2ccccc2)C=CC1(C)N1CCOCC1
• InChI: InChI=1S/C29H34N4O4/c1-5-26(34)31-33(19-24-20(2)17-21(3)30-27(24)35)28(36)25-18-23(22-9-7-6-8-10-22)11-12-29(25,4)32-13-15-37-16-14-32/h5-12,17-18,25H,1,13-16,19H2,2-4H3,(H,30,35)(H,31,34)
• InChIKey: CWBGBEPZSQQHIW-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 94.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide (CID 175093828) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide is C=CC(=O)NN(Cc1c(C)cc(C)[nH]c1=O)C(=O)C1C=C(c2ccccc2)C=CC1(C)N1CCOCC1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide?

The InChIKey is CWBGBEPZSQQHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4/c1-5-26(34)31-33(19-24-20(2)17-21(3)30-27(24)35)28(36)25-18-23(22-9-7-6-8-10-22)11-12-29(25,4)32-13-15-37-16-14-32/h5-12,17-18,25H,1,13-16,19H2,2-4H3,(H,30,35)(H,31,34).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide has a molecular weight of 502.62 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-6-morpholin-4-yl-3-phenyl-N'-prop-2-enoylcyclohexa-2,4-diene-1-carbohydrazide is sourced from PubChem (CID 175093828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).