6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide

C22H23N5O2 — CID 123606182

IUPAC6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide
SMILES[H]/N=C/c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cnc1NCc1ccccc1
InChIInChI=1S/C22H23N5O2/c1-14-8-15(2)27-22(29)19(14)13-26-21(28)18-9-17(10-23)20(25-12-18)24-11-16-6-4-3-5-7-16/h3-10,12,23H,11,13H2,1-2H3,(H,24,25)(H,26,28)(H,27,29)/b23-10+
InChIKeyIKUXGFJPOCUXAQ-AUEPDCJTSA-N
MW389.46 g/mol
LogP2.93
Rot. Bonds7

About 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide

6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide (PubChem CID 123606182) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide
PubChem CID123606182
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide
SMILES[H]/N=C/c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cnc1NCc1ccccc1
InChIInChI=1S/C22H23N5O2/c1-14-8-15(2)27-22(29)19(14)13-26-21(28)18-9-17(10-23)20(25-12-18)24-11-16-6-4-3-5-7-16/h3-10,12,23H,11,13H2,1-2H3,(H,24,25)(H,26,28)(H,27,29)/b23-10+
InChIKeyIKUXGFJPOCUXAQ-AUEPDCJTSA-N
XLogP2.93
TPSA110.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515
N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 175358117
2-benzyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86891370
6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133345531
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043792
2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-methylpyridine-3-carboxamide
CID 133345555
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylimidazole-4-carboxamide
CID 41283014
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide
CID 130459960
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614902
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 41283239

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide (CID 123606182) is 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide is [H]/N=C/c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cnc1NCc1ccccc1.
What is the InChIKey of 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide?
The InChIKey is IKUXGFJPOCUXAQ-AUEPDCJTSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-8-15(2)27-22(29)19(14)13-26-21(28)18-9-17(10-23)20(25-12-18)24-11-16-6-4-3-5-7-16/h3-10,12,23H,11,13H2,1-2H3,(H,24,25)(H,26,28)(H,27,29)/b23-10+.
What are the key properties of 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide?
6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methanimidoylpyridine-3-carboxamide is sourced from PubChem (CID 123606182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).