4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide

C18H18ClFN2O3 — CID 86298131

IUPAC4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1c(Cl)ccnc1OCC1CC1)c1ccc(O)c(F)c1
InChIInChI=1S/C18H18ClFN2O3/c1-10(12-4-5-15(23)14(20)8-12)22-17(24)16-13(19)6-7-21-18(16)25-9-11-2-3-11/h4-8,10-11,23H,2-3,9H2,1H3,(H,22,24)
InChIKeyDSBVRZZCNAAYEC-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.86
Rot. Bonds6

About 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide

4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 86298131) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID86298131
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1c(Cl)ccnc1OCC1CC1)c1ccc(O)c(F)c1
InChIInChI=1S/C18H18ClFN2O3/c1-10(12-4-5-15(23)14(20)8-12)22-17(24)16-13(19)6-7-21-18(16)25-9-11-2-3-11/h4-8,10-11,23H,2-3,9H2,1H3,(H,22,24)
InChIKeyDSBVRZZCNAAYEC-UHFFFAOYSA-N
XLogP3.86
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide (CID 86298131) is 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1c(Cl)ccnc1OCC1CC1)c1ccc(O)c(F)c1.
What is the InChIKey of 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is DSBVRZZCNAAYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-10(12-4-5-15(23)14(20)8-12)22-17(24)16-13(19)6-7-21-18(16)25-9-11-2-3-11/h4-8,10-11,23H,2-3,9H2,1H3,(H,22,24).
What are the key properties of 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 364.80 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylmethoxy)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 86298131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).