N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide

C16H17FN2O3 — CID 18115884

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)cn1
InChIInChI=1S/C16H17FN2O3/c1-19(10-11-4-6-14(21-2)13(17)8-11)16(20)12-5-7-15(22-3)18-9-12/h4-9H,10H2,1-3H3
InChIKeyHOINCXPBNAKTRC-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.51
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 18115884) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide
PubChem CID18115884
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)cn1
InChIInChI=1S/C16H17FN2O3/c1-19(10-11-4-6-14(21-2)13(17)8-11)16(20)12-5-7-15(22-3)18-9-12/h4-9H,10H2,1-3H3
InChIKeyHOINCXPBNAKTRC-UHFFFAOYSA-N
XLogP2.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide (CID 18115884) is N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide is COc1ccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)cn1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is HOINCXPBNAKTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-19(10-11-4-6-14(21-2)13(17)8-11)16(20)12-5-7-15(22-3)18-9-12/h4-9H,10H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 18115884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).