3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide

C23H25N5O2 — CID 171819984

IUPAC3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide
SMILES[H]/N=C/c1c(NC)nc(C(N)=O)c(N)c1-c1c(C)ccc(OCc2ccccc2)c1C
InChIInChI=1S/C23H25N5O2/c1-13-9-10-17(30-12-15-7-5-4-6-8-15)14(2)18(13)19-16(11-24)23(27-3)28-21(20(19)25)22(26)29/h4-11,24H,12,25H2,1-3H3,(H2,26,29)(H,27,28)/b24-11+
InChIKeyFSBPRRFGUPNZOQ-BHGWPJFGSA-N
MW403.49 g/mol
LogP3.66
Rot. Bonds7

About 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide

3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide (PubChem CID 171819984) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide
PubChem CID171819984
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide
SMILES[H]/N=C/c1c(NC)nc(C(N)=O)c(N)c1-c1c(C)ccc(OCc2ccccc2)c1C
InChIInChI=1S/C23H25N5O2/c1-13-9-10-17(30-12-15-7-5-4-6-8-15)14(2)18(13)19-16(11-24)23(27-3)28-21(20(19)25)22(26)29/h4-11,24H,12,25H2,1-3H3,(H2,26,29)(H,27,28)/b24-11+
InChIKeyFSBPRRFGUPNZOQ-BHGWPJFGSA-N
XLogP3.66
TPSA127.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
methyl 6-amino-4-chloro-7-(2,6-dimethyl-3-phenylmethoxyphenyl)-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 171099788
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
6-amino-3-cyclopropyl-7-(2,6-dimethyl-3-phenylmethoxyphenyl)imidazo[4,5-b]pyridine-5-carbonitrile
CID 171820231
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
CID 131849552
(3-methyl-4-phenylmethoxy-2-pyridinyl)hydrazine
CID 70451114
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide (CID 171819984) is 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide is [H]/N=C/c1c(NC)nc(C(N)=O)c(N)c1-c1c(C)ccc(OCc2ccccc2)c1C.
What is the InChIKey of 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is FSBPRRFGUPNZOQ-BHGWPJFGSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-13-9-10-17(30-12-15-7-5-4-6-8-15)14(2)18(13)19-16(11-24)23(27-3)28-21(20(19)25)22(26)29/h4-11,24H,12,25H2,1-3H3,(H2,26,29)(H,27,28)/b24-11+.
What are the key properties of 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide?
3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,6-dimethyl-3-phenylmethoxyphenyl)-5-methanimidoyl-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 171819984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).