5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide

C22H22FN3O2 — CID 71010033

IUPAC5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)c2ccc(NC(=O)c3cncc(F)c3C)cc2)cn1
InChIInChI=1S/C22H22FN3O2/c1-14-18(12-24-13-19(14)23)21(27)26-17-8-5-15(6-9-17)22(2,3)16-7-10-20(28-4)25-11-16/h5-13H,1-4H3,(H,26,27)
InChIKeyBQIJYOUWKOECPW-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.51
Rot. Bonds5

About 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010033) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide
PubChem CID71010033
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)c2ccc(NC(=O)c3cncc(F)c3C)cc2)cn1
InChIInChI=1S/C22H22FN3O2/c1-14-18(12-24-13-19(14)23)21(27)26-17-8-5-15(6-9-17)22(2,3)16-7-10-20(28-4)25-11-16/h5-13H,1-4H3,(H,26,27)
InChIKeyBQIJYOUWKOECPW-UHFFFAOYSA-N
XLogP4.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide (CID 71010033) is 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide is COc1ccc(C(C)(C)c2ccc(NC(=O)c3cncc(F)c3C)cc2)cn1.
What is the InChIKey of 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide?
The InChIKey is BQIJYOUWKOECPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-18(12-24-13-19(14)23)21(27)26-17-8-5-15(6-9-17)22(2,3)16-7-10-20(28-4)25-11-16/h5-13H,1-4H3,(H,26,27).
What are the key properties of 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[2-(6-methoxy-3-pyridinyl)propan-2-yl]phenyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).