N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide

C18H23N3O2 — CID 109179678

IUPACN-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(NC(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-13(2)21-15-8-9-16(20-12-15)18(22)19-11-10-14-6-4-5-7-17(14)23-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,19,22)
InChIKeyIUBUZYJUWAAECT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109179678) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109179678
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(NC(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-13(2)21-15-8-9-16(20-12-15)18(22)19-11-10-14-6-4-5-7-17(14)23-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,19,22)
InChIKeyIUBUZYJUWAAECT-UHFFFAOYSA-N
XLogP2.88
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192510
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
5-(2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192496
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600
5-anilino-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284601
5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109181620
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705225
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109190273
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
6-(butan-2-ylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109151959

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide (CID 109179678) is N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide is COc1ccccc1CCNC(=O)c1ccc(NC(C)C)cn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is IUBUZYJUWAAECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)21-15-8-9-16(20-12-15)18(22)19-11-10-14-6-4-5-7-17(14)23-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109179678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).