N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide

C25H23FN2O4 — CID 76853902

IUPACN-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide
SMILESCOc1ccc(CN(OCC2CC2)C(=O)c2cccc(-c3ncccc3C=O)c2)cc1F
InChIInChI=1S/C25H23FN2O4/c1-31-23-10-9-18(12-22(23)26)14-28(32-16-17-7-8-17)25(30)20-5-2-4-19(13-20)24-21(15-29)6-3-11-27-24/h2-6,9-13,15,17H,7-8,14,16H2,1H3
InChIKeyJJLCGFUYWFAUNI-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.69
Rot. Bonds9

About N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide

N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide (PubChem CID 76853902) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide
PubChem CID76853902
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC NameN-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide
SMILESCOc1ccc(CN(OCC2CC2)C(=O)c2cccc(-c3ncccc3C=O)c2)cc1F
InChIInChI=1S/C25H23FN2O4/c1-31-23-10-9-18(12-22(23)26)14-28(32-16-17-7-8-17)25(30)20-5-2-4-19(13-20)24-21(15-29)6-3-11-27-24/h2-6,9-13,15,17H,7-8,14,16H2,1H3
InChIKeyJJLCGFUYWFAUNI-UHFFFAOYSA-N
XLogP4.69
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 99909331
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl 2-amino-2-methylpropanoate
CID 118336008
[[2,6-bis(cyclopropylmethoxy)-3-(1,2,4-triazol-4-yl)benzoyl]-[(3-fluoro-4-methoxyphenyl)methyl]amino] 2,2,2-trifluoroacetate
CID 169102721
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118335951
1-(cyclopropylmethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 116557505
3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 115955681
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17414612
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 106490199
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 16597367

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide?
The IUPAC name of N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide (CID 76853902) is N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide?
The canonical SMILES for N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide is COc1ccc(CN(OCC2CC2)C(=O)c2cccc(-c3ncccc3C=O)c2)cc1F.
What is the InChIKey of N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide?
The InChIKey is JJLCGFUYWFAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-31-23-10-9-18(12-22(23)26)14-28(32-16-17-7-8-17)25(30)20-5-2-4-19(13-20)24-21(15-29)6-3-11-27-24/h2-6,9-13,15,17H,7-8,14,16H2,1H3.
What are the key properties of N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide?
N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide has a molecular weight of 434.47 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(3-formyl-2-pyridinyl)benzamide is sourced from PubChem (CID 76853902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).