N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide

C17H21N3O2 — CID 113014776

IUPACN-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NC(C)(C)C)nc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)20-15-10-9-12(11-18-15)19-16(21)13-7-5-6-8-14(13)22-4/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyRBXPKNRMPKCXDM-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.55
Rot. Bonds4

About N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide

N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide (PubChem CID 113014776) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide
PubChem CID113014776
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(NC(C)(C)C)nc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)20-15-10-9-12(11-18-15)19-16(21)13-7-5-6-8-14(13)22-4/h5-11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyRBXPKNRMPKCXDM-UHFFFAOYSA-N
XLogP3.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-methoxybenzamide
CID 113026998
N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-2-methoxybenzamide
CID 42878469

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide?
The IUPAC name of N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide (CID 113014776) is N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(NC(C)(C)C)nc1.
What is the InChIKey of N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide?
The InChIKey is RBXPKNRMPKCXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,3)20-15-10-9-12(11-18-15)19-16(21)13-7-5-6-8-14(13)22-4/h5-11H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide?
N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide is sourced from PubChem (CID 113014776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).