N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide

C18H23N3O4 — CID 110179389

IUPACN-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide
SMILESCOc1ccc(CNc2ccc(NC(=O)CC(C)O)cn2)c(OC)c1
InChIInChI=1S/C18H23N3O4/c1-12(22)8-18(23)21-14-5-7-17(20-11-14)19-10-13-4-6-15(24-2)9-16(13)25-3/h4-7,9,11-12,22H,8,10H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyBCQXEMIIZQYNCR-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.42
Rot. Bonds8

About N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide

N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide (PubChem CID 110179389) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide
PubChem CID110179389
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide
SMILESCOc1ccc(CNc2ccc(NC(=O)CC(C)O)cn2)c(OC)c1
InChIInChI=1S/C18H23N3O4/c1-12(22)8-18(23)21-14-5-7-17(20-11-14)19-10-13-4-6-15(24-2)9-16(13)25-3/h4-7,9,11-12,22H,8,10H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyBCQXEMIIZQYNCR-UHFFFAOYSA-N
XLogP2.42
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
2-[4-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55610566
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 154640277
6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine
CID 133359877
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide?
The IUPAC name of N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide (CID 110179389) is N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide.
What is the SMILES notation for N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide?
The canonical SMILES for N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide is COc1ccc(CNc2ccc(NC(=O)CC(C)O)cn2)c(OC)c1.
What is the InChIKey of N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide?
The InChIKey is BCQXEMIIZQYNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(22)8-18(23)21-14-5-7-17(20-11-14)19-10-13-4-6-15(24-2)9-16(13)25-3/h4-7,9,11-12,22H,8,10H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide?
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide has a molecular weight of 345.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide is sourced from PubChem (CID 110179389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).