N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide

C17H21N3O2 — CID 109222992

IUPACN-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C17H21N3O2/c1-3-8-19-15-9-14(10-18-12-15)17(21)20-11-13-6-4-5-7-16(13)22-2/h4-7,9-10,12,19H,3,8,11H2,1-2H3,(H,20,21)
InChIKeyZMSUEVOORABGCL-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.84
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide (PubChem CID 109222992) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
PubChem CID109222992
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C17H21N3O2/c1-3-8-19-15-9-14(10-18-12-15)17(21)20-11-13-6-4-5-7-16(13)22-2/h4-7,9-10,12,19H,3,8,11H2,1-2H3,(H,20,21)
InChIKeyZMSUEVOORABGCL-UHFFFAOYSA-N
XLogP2.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109224564
5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
5-(2,6-diethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234214
5-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235494
5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109223782
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228037
3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109105740
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109236652
5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
5-N-(3-fluorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105765
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide (CID 109222992) is N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide is CCCNc1cncc(C(=O)NCc2ccccc2OC)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide?
The InChIKey is ZMSUEVOORABGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-8-19-15-9-14(10-18-12-15)17(21)20-11-13-6-4-5-7-16(13)22-2/h4-7,9-10,12,19H,3,8,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109222992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).