5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid

C23H20FN3O4 — CID 171836632

IUPAC5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(-c2cc(C(=O)Nc3ccc(OCC4CC4)cc3)c(F)cn2)cc1C(=O)O
InChIInChI=1S/C23H20FN3O4/c1-13-18(23(29)30)8-15(10-25-13)21-9-19(20(24)11-26-21)22(28)27-16-4-6-17(7-5-16)31-12-14-2-3-14/h4-11,14H,2-3,12H2,1H3,(H,27,28)(H,29,30)
InChIKeyFCYSQTYCXLFNEZ-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.33
Rot. Bonds7

About 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid

5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 171836632) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid
PubChem CID171836632
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(-c2cc(C(=O)Nc3ccc(OCC4CC4)cc3)c(F)cn2)cc1C(=O)O
InChIInChI=1S/C23H20FN3O4/c1-13-18(23(29)30)8-15(10-25-13)21-9-19(20(24)11-26-21)22(28)27-16-4-6-17(7-5-16)31-12-14-2-3-14/h4-11,14H,2-3,12H2,1H3,(H,27,28)(H,29,30)
InChIKeyFCYSQTYCXLFNEZ-UHFFFAOYSA-N
XLogP4.33
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171684282
2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185306
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-(cyclopropylmethoxy)-N-[4-(dimethylamino)-3-methylphenyl]benzamide
CID 60571631
2-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119185309
5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid
CID 146133446
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
2,5-dimethyl-N-phenylpyridine-3-carboxamide
CID 160655593
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
4-amino-N-[4-(cyclopropylmethoxy)phenyl]-3-methoxybutanamide
CID 120592361

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid (CID 171836632) is 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid is Cc1ncc(-c2cc(C(=O)Nc3ccc(OCC4CC4)cc3)c(F)cn2)cc1C(=O)O.
What is the InChIKey of 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is FCYSQTYCXLFNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-13-18(23(29)30)8-15(10-25-13)21-9-19(20(24)11-26-21)22(28)27-16-4-6-17(7-5-16)31-12-14-2-3-14/h4-11,14H,2-3,12H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid?
5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 421.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-5-fluoro-2-pyridinyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 171836632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).