2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide

C24H24FN3O4 — CID 118335951

IUPAC2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cccnc3CO)cnc2OCC2CC2)cc1F
InChIInChI=1S/C24H24FN3O4/c1-31-22-7-6-16(9-20(22)25)11-27-23(30)19-10-17(18-3-2-8-26-21(18)13-29)12-28-24(19)32-14-15-4-5-15/h2-3,6-10,12,15,29H,4-5,11,13-14H2,1H3,(H,27,30)
InChIKeyVOUPNDHSCMOFQE-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.50
Rot. Bonds9

About 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 118335951) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID118335951
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cccnc3CO)cnc2OCC2CC2)cc1F
InChIInChI=1S/C24H24FN3O4/c1-31-22-7-6-16(9-20(22)25)11-27-23(30)19-10-17(18-3-2-8-26-21(18)13-29)12-28-24(19)32-14-15-4-5-15/h2-3,6-10,12,15,29H,4-5,11,13-14H2,1H3,(H,27,30)
InChIKeyVOUPNDHSCMOFQE-UHFFFAOYSA-N
XLogP3.50
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 118335978
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 118336186
2-(cyclopropylmethoxy)-5-[2-[(dimethylamino)methyl]phenyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 126629343
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide
CID 126629309
[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl 2-amino-2-methylpropanoate
CID 118336008
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide
CID 126629287
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylbutoxy)benzamide
CID 144908484
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 126629310
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide
CID 126629412
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide
CID 126629290

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide (CID 118335951) is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cccnc3CO)cnc2OCC2CC2)cc1F.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is VOUPNDHSCMOFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-31-22-7-6-16(9-20(22)25)11-27-23(30)19-10-17(18-3-2-8-26-21(18)13-29)12-28-24(19)32-14-15-4-5-15/h2-3,6-10,12,15,29H,4-5,11,13-14H2,1H3,(H,27,30).
What are the key properties of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide?
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 118335951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).