4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide

C20H25N3O4 — CID 163319270

IUPAC4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide
SMILESCOc1cc(-c2ccc(C(=O)N[C@@H]3COCC[C@H]3OC)cc2)c(N)nc1C
InChIInChI=1S/C20H25N3O4/c1-12-18(26-3)10-15(19(21)22-12)13-4-6-14(7-5-13)20(24)23-16-11-27-9-8-17(16)25-2/h4-7,10,16-17H,8-9,11H2,1-3H3,(H2,21,22)(H,23,24)/t16-,17-/m1/s1
InChIKeyHFSMJJCZXYFDQH-IAGOWNOFSA-N
MW371.44 g/mol
LogP2.18
Rot. Bonds5

About 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide

4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide (PubChem CID 163319270) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide.

Molecular Properties

Compound Name4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide
PubChem CID163319270
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide
SMILESCOc1cc(-c2ccc(C(=O)N[C@@H]3COCC[C@H]3OC)cc2)c(N)nc1C
InChIInChI=1S/C20H25N3O4/c1-12-18(26-3)10-15(19(21)22-12)13-4-6-14(7-5-13)20(24)23-16-11-27-9-8-17(16)25-2/h4-7,10,16-17H,8-9,11H2,1-3H3,(H2,21,22)(H,23,24)/t16-,17-/m1/s1
InChIKeyHFSMJJCZXYFDQH-IAGOWNOFSA-N
XLogP2.18
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide 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

4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-methylbenzamide
CID 162626905
6-cyano-N-[(3R,4R)-4-methoxyoxan-3-yl]pyridine-3-carboxamide
CID 91831669
6-methoxy-N-[5-[[(3R,4R)-4-methoxyoxan-3-yl]carbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 172668266
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
1-(difluoromethyl)-N-(4-methoxyoxan-3-yl)-5-methylpyrrole-2-carboxamide
CID 156609459
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 156608505
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136587613
3-amino-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62088894
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91769238
N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136587602

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide?
The IUPAC name of 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide (CID 163319270) is 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide.
What is the SMILES notation for 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide?
The canonical SMILES for 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide is COc1cc(-c2ccc(C(=O)N[C@@H]3COCC[C@H]3OC)cc2)c(N)nc1C.
What is the InChIKey of 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide?
The InChIKey is HFSMJJCZXYFDQH-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12-18(26-3)10-15(19(21)22-12)13-4-6-14(7-5-13)20(24)23-16-11-27-9-8-17(16)25-2/h4-7,10,16-17H,8-9,11H2,1-3H3,(H2,21,22)(H,23,24)/t16-,17-/m1/s1.
What are the key properties of 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide?
4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]benzamide is sourced from PubChem (CID 163319270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).