5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide

C19H25N3O3 — CID 109239160

IUPAC5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cncc(NC(C)(C)C)c2)cc1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)22-15-11-14(12-20-13-15)18(23)21-9-10-25-17-7-5-16(24-4)6-8-17/h5-8,11-13,22H,9-10H2,1-4H3,(H,21,23)
InChIKeyRBCYOQLXWMSJFR-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.11
Rot. Bonds7

About 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide

5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 109239160) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID109239160
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cncc(NC(C)(C)C)c2)cc1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)22-15-11-14(12-20-13-15)18(23)21-9-10-25-17-7-5-16(24-4)6-8-17/h5-8,11-13,22H,9-10H2,1-4H3,(H,21,23)
InChIKeyRBCYOQLXWMSJFR-UHFFFAOYSA-N
XLogP3.11
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239199
N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239213
N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239217
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
2-[4-[2-[[5-[2-[4-(carboxymethoxy)phenoxy]ethylcarbamoyl]pyridine-3-carbonyl]amino]ethoxy]phenoxy]acetic acid
CID 132599624
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
N-(2,3-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239216

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide (CID 109239160) is 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide is COc1ccc(OCCNC(=O)c2cncc(NC(C)(C)C)c2)cc1.
What is the InChIKey of 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is RBCYOQLXWMSJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,3)22-15-11-14(12-20-13-15)18(23)21-9-10-25-17-7-5-16(24-4)6-8-17/h5-8,11-13,22H,9-10H2,1-4H3,(H,21,23).
What are the key properties of 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide?
5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109239160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).