N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide

C17H21N3O3 — CID 119047086

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide
SMILESCCCOc1nc(C)ccc1C(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C17H21N3O3/c1-4-9-23-17-14(7-5-12(2)20-17)16(21)19-11-13-6-8-15(22-3)18-10-13/h5-8,10H,4,9,11H2,1-3H3,(H,19,21)
InChIKeyCXHXCZVGYXGULD-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.51
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide (PubChem CID 119047086) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide
PubChem CID119047086
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide
SMILESCCCOc1nc(C)ccc1C(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C17H21N3O3/c1-4-9-23-17-14(7-5-12(2)20-17)16(21)19-11-13-6-8-15(22-3)18-10-13/h5-8,10H,4,9,11H2,1-3H3,(H,19,21)
InChIKeyCXHXCZVGYXGULD-UHFFFAOYSA-N
XLogP2.51
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239641
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
2-benzyl-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51316857
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide
CID 107029142
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 62991496
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide (CID 119047086) is N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide is CCCOc1nc(C)ccc1C(=O)NCc1ccc(OC)nc1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide?
The InChIKey is CXHXCZVGYXGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-9-23-17-14(7-5-12(2)20-17)16(21)19-11-13-6-8-15(22-3)18-10-13/h5-8,10H,4,9,11H2,1-3H3,(H,19,21).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-propoxypyridine-3-carboxamide is sourced from PubChem (CID 119047086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).