4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide

C15H18N2O3S — CID 71982662

IUPAC4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2cccnc2OC(C)C)c1
InChIInChI=1S/C15H18N2O3S/c1-10(2)20-15-11(5-4-6-16-15)8-17-14(18)13-7-12(19-3)9-21-13/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyANYKAQYAGJERTH-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.87
Rot. Bonds6

About 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide

4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 71982662) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID71982662
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2cccnc2OC(C)C)c1
InChIInChI=1S/C15H18N2O3S/c1-10(2)20-15-11(5-4-6-16-15)8-17-14(18)13-7-12(19-3)9-21-13/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyANYKAQYAGJERTH-UHFFFAOYSA-N
XLogP2.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
5-hydroxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 63860474
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 94178991
4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 81229055
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107249436
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 51082279
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
5-(2-methylpropyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 55742343
5-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 38535025
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 71982662) is 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide is COc1csc(C(=O)NCc2cccnc2OC(C)C)c1.
What is the InChIKey of 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is ANYKAQYAGJERTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(2)20-15-11(5-4-6-16-15)8-17-14(18)13-7-12(19-3)9-21-13/h4-7,9-10H,8H2,1-3H3,(H,17,18).
What are the key properties of 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide?
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71982662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).